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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-49766c54/inputs/seq.fa: 1 curr_seq: _GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCUCUUCCAAAGUUCCGCUUGUUUUAGAGCUAUGCUGAAAAGCAUAGCAAGUUAAAAUAAGGCUAGUCCGUUAUCAACUUGAAAAAGUGGCACCGAGUCGGUGC RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 104 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 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 1 Temperature: 1.350000 Total energy: -417.952749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.952749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.952749 (E_RNA) where: Base-Base interactions energy: -12.946 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -537.087774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.087774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.087774 (E_RNA) where: Base-Base interactions energy: -215.921 where: short stacking energy: -211.393 Base-Backbone interact. energy: -0.919 local terms energy: -320.247916 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -71.830 flat angles C4'-P-C4' energy: -71.768 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -57.210 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -581.280947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.280947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.280947 (E_RNA) where: Base-Base interactions energy: -332.793 where: short stacking energy: -199.177 Base-Backbone interact. energy: 0.462 local terms energy: -248.950207 where: bonds (distance) C4'-P energy: -63.462 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -44.255 flat angles P-C4'-P energy: -37.936 tors. eta vs tors. theta energy: -33.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -512.078465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.078465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.078465 (E_RNA) where: Base-Base interactions energy: -237.179 where: short stacking energy: -192.238 Base-Backbone interact. energy: 2.984 local terms energy: -277.883621 where: bonds (distance) C4'-P energy: -67.022 bonds (distance) P-C4' energy: -63.552 flat angles C4'-P-C4' energy: -71.881 flat angles P-C4'-P energy: -33.462 tors. eta vs tors. theta energy: -41.966 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -445.323834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.323834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.323834 (E_RNA) where: Base-Base interactions energy: -177.590 where: short stacking energy: -162.746 Base-Backbone interact. energy: -0.003 local terms energy: -267.730881 where: bonds (distance) C4'-P energy: -60.890 bonds (distance) P-C4' energy: -69.255 flat angles C4'-P-C4' energy: -63.479 flat angles P-C4'-P energy: -37.683 tors. eta vs tors. theta energy: -36.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -415.798693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.798693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.798693 (E_RNA) where: Base-Base interactions energy: -14.391 where: short stacking energy: -14.391 Base-Backbone interact. energy: -0.000 local terms energy: -401.407444 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -415.652488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.652488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.652488 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.000 local terms energy: -401.263316 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.418 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -415.455381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.455381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.455381 (E_RNA) where: Base-Base interactions energy: -14.387 where: short stacking energy: -14.387 Base-Backbone interact. energy: -0.000 local terms energy: -401.068322 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -415.453207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.453207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.453207 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.000 local terms energy: -401.068322 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -415.450933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.450933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.450933 (E_RNA) where: Base-Base interactions energy: -14.383 where: short stacking energy: -14.383 Base-Backbone interact. energy: -0.000 local terms energy: -401.068322 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -415.147067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.147067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.147067 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.380 Base-Backbone interact. energy: -0.000 local terms energy: -400.766815 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -87.036 tors. eta vs tors. theta energy: -46.282 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -628.032208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.032208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.032208 (E_RNA) where: Base-Base interactions energy: -317.941 where: short stacking energy: -260.388 Base-Backbone interact. energy: -0.344 local terms energy: -309.747732 where: bonds (distance) C4'-P energy: -69.023 bonds (distance) P-C4' energy: -73.371 flat angles C4'-P-C4' energy: -65.867 flat angles P-C4'-P energy: -36.317 tors. eta vs tors. theta energy: -65.170 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -662.943369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.943369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.943369 (E_RNA) where: Base-Base interactions energy: -370.723 where: short stacking energy: -228.737 Base-Backbone interact. energy: -0.688 local terms energy: -291.532544 where: bonds (distance) C4'-P energy: -57.978 bonds (distance) P-C4' energy: -58.345 flat angles C4'-P-C4' energy: -65.994 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -55.861 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -511.490638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.490638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.490638 (E_RNA) where: Base-Base interactions energy: -279.921 where: short stacking energy: -185.140 Base-Backbone interact. energy: -1.353 local terms energy: -230.216520 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -44.213 flat angles P-C4'-P energy: -36.992 tors. eta vs tors. theta energy: -30.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -447.263088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.263088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.263088 (E_RNA) where: Base-Base interactions energy: -198.435 where: short stacking energy: -143.121 Base-Backbone interact. energy: 0.911 local terms energy: -249.739152 where: bonds (distance) C4'-P energy: -51.856 bonds (distance) P-C4' energy: -69.107 flat angles C4'-P-C4' energy: -61.509 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -22.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -397.524173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.524173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.524173 (E_RNA) where: Base-Base interactions energy: -150.154 where: short stacking energy: -116.386 Base-Backbone interact. energy: -0.572 local terms energy: -246.798037 where: bonds (distance) C4'-P energy: -74.334 bonds (distance) P-C4' energy: -62.653 flat angles C4'-P-C4' energy: -61.750 flat angles P-C4'-P energy: -24.014 tors. eta vs tors. theta energy: -24.047 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -428.300589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.300589 (E_RNA) where: Base-Base interactions energy: -193.048 where: short stacking energy: -132.644 Base-Backbone interact. energy: -1.594 local terms energy: -233.658898 where: bonds (distance) C4'-P energy: -64.036 bonds (distance) P-C4' energy: -60.152 flat angles C4'-P-C4' energy: -48.017 flat angles P-C4'-P energy: -40.106 tors. eta vs tors. theta energy: -21.348 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -354.339715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.339715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.339715 (E_RNA) where: Base-Base interactions energy: -143.374 where: short stacking energy: -91.572 Base-Backbone interact. energy: -0.447 local terms energy: -210.518782 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -65.377 flat angles C4'-P-C4' energy: -56.863 flat angles P-C4'-P energy: -33.098 tors. eta vs tors. theta energy: 5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -405.647955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.647955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.647955 (E_RNA) where: Base-Base interactions energy: -203.821 where: short stacking energy: -106.792 Base-Backbone interact. energy: -4.532 local terms energy: -197.294804 where: bonds (distance) C4'-P energy: -52.276 bonds (distance) P-C4' energy: -56.973 flat angles C4'-P-C4' energy: -42.376 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -2.699 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -336.153470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.153470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.153470 (E_RNA) where: Base-Base interactions energy: -169.661 where: short stacking energy: -75.668 Base-Backbone interact. energy: 1.206 local terms energy: -167.697964 where: bonds (distance) C4'-P energy: -54.464 bonds (distance) P-C4' energy: -52.831 flat angles C4'-P-C4' energy: -49.516 flat angles P-C4'-P energy: -27.540 tors. eta vs tors. theta energy: 16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -258.136473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.136473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.136473 (E_RNA) where: Base-Base interactions energy: -94.358 where: short stacking energy: -74.443 Base-Backbone interact. energy: 2.332 local terms energy: -166.110393 where: bonds (distance) C4'-P energy: -50.871 bonds (distance) P-C4' energy: -56.869 flat angles C4'-P-C4' energy: -38.128 flat angles P-C4'-P energy: -19.415 tors. eta vs tors. theta energy: -0.826 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -629.432814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.432814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.432814 (E_RNA) where: Base-Base interactions energy: -318.410 where: short stacking energy: -231.339 Base-Backbone interact. energy: 0.357 local terms energy: -311.379250 where: bonds (distance) C4'-P energy: -66.853 bonds (distance) P-C4' energy: -75.392 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: -61.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -679.061266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.061266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.061266 (E_RNA) where: Base-Base interactions energy: -384.574 where: short stacking energy: -219.375 Base-Backbone interact. energy: 1.503 local terms energy: -295.990726 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -63.151 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -49.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -605.287714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.287714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.287714 (E_RNA) where: Base-Base interactions energy: -310.861 where: short stacking energy: -198.770 Base-Backbone interact. energy: -2.242 local terms energy: -292.184859 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -70.896 flat angles C4'-P-C4' energy: -63.284 flat angles P-C4'-P energy: -46.161 tors. eta vs tors. theta energy: -50.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -541.786074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.786074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.786074 (E_RNA) where: Base-Base interactions energy: -276.756 where: short stacking energy: -173.856 Base-Backbone interact. energy: -1.052 local terms energy: -263.977877 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -62.786 flat angles C4'-P-C4' energy: -69.272 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -25.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -430.788806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.788806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.788806 (E_RNA) where: Base-Base interactions energy: -199.411 where: short stacking energy: -151.746 Base-Backbone interact. energy: -1.284 local terms energy: -230.093884 where: bonds (distance) C4'-P energy: -42.924 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -66.493 flat angles P-C4'-P energy: -42.240 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -419.510701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.510701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.510701 (E_RNA) where: Base-Base interactions energy: -183.415 where: short stacking energy: -143.882 Base-Backbone interact. energy: -0.141 local terms energy: -235.954776 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -58.491 flat angles C4'-P-C4' energy: -58.288 flat angles P-C4'-P energy: -34.850 tors. eta vs tors. theta energy: -26.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -497.272475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.272475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.272475 (E_RNA) where: Base-Base interactions energy: -279.669 where: short stacking energy: -153.172 Base-Backbone interact. energy: -1.480 local terms energy: -216.122943 where: bonds (distance) C4'-P energy: -56.011 bonds (distance) P-C4' energy: -53.332 flat angles C4'-P-C4' energy: -51.867 flat angles P-C4'-P energy: -27.838 tors. eta vs tors. theta energy: -27.074 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: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -329.873887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.873887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.873887 (E_RNA) where: Base-Base interactions energy: -133.174 where: short stacking energy: -101.450 Base-Backbone interact. energy: -1.359 local terms energy: -195.340414 where: bonds (distance) C4'-P energy: -52.522 bonds (distance) P-C4' energy: -57.009 flat angles C4'-P-C4' energy: -54.508 flat angles P-C4'-P energy: -37.750 tors. eta vs tors. theta energy: 6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -346.521630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.521630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.521630 (E_RNA) where: Base-Base interactions energy: -149.330 where: short stacking energy: -85.452 Base-Backbone interact. energy: 0.566 local terms energy: -197.757722 where: bonds (distance) C4'-P energy: -55.620 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -53.551 flat angles P-C4'-P energy: -30.652 tors. eta vs tors. theta energy: 0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -269.974369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.974369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.974369 (E_RNA) where: Base-Base interactions energy: -84.985 where: short stacking energy: -76.272 Base-Backbone interact. energy: -0.112 local terms energy: -184.877879 where: bonds (distance) C4'-P energy: -50.815 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -51.797 flat angles P-C4'-P energy: -28.268 tors. eta vs tors. theta energy: 5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -659.371365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.371365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.371365 (E_RNA) where: Base-Base interactions energy: -346.614 where: short stacking energy: -249.094 Base-Backbone interact. energy: -2.398 local terms energy: -310.359187 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -71.360 flat angles C4'-P-C4' energy: -65.669 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: -58.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -726.608574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.608574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.608574 (E_RNA) where: Base-Base interactions energy: -432.736 where: short stacking energy: -209.692 Base-Backbone interact. energy: -1.064 local terms energy: -292.808088 where: bonds (distance) C4'-P energy: -61.565 bonds (distance) P-C4' energy: -72.695 flat angles C4'-P-C4' energy: -63.405 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -51.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -600.818163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.818163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.818163 (E_RNA) where: Base-Base interactions energy: -330.285 where: short stacking energy: -212.920 Base-Backbone interact. energy: -1.357 local terms energy: -269.176252 where: bonds (distance) C4'-P energy: -67.537 bonds (distance) P-C4' energy: -56.991 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -39.458 tors. eta vs tors. theta energy: -39.661 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: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -646.902333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.902333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.902333 (E_RNA) where: Base-Base interactions energy: -377.872 where: short stacking energy: -214.145 Base-Backbone interact. energy: 0.621 local terms energy: -269.651330 where: bonds (distance) C4'-P energy: -56.774 bonds (distance) P-C4' energy: -58.104 flat angles C4'-P-C4' energy: -59.477 flat angles P-C4'-P energy: -38.440 tors. eta vs tors. theta energy: -56.857 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: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -414.218759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.218759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.218759 (E_RNA) where: Base-Base interactions energy: -187.099 where: short stacking energy: -131.744 Base-Backbone interact. energy: 6.256 local terms energy: -233.375609 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -68.889 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -480.978294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.978294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.978294 (E_RNA) where: Base-Base interactions energy: -249.780 where: short stacking energy: -129.628 Base-Backbone interact. energy: 2.288 local terms energy: -233.485489 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -57.998 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -32.241 tors. eta vs tors. theta energy: -22.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -387.997615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.997615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.997615 (E_RNA) where: Base-Base interactions energy: -178.285 where: short stacking energy: -96.032 Base-Backbone interact. energy: 3.366 local terms energy: -213.078450 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -61.858 flat angles C4'-P-C4' energy: -59.282 flat angles P-C4'-P energy: -39.616 tors. eta vs tors. theta energy: 6.211 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -348.461325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.461325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.461325 (E_RNA) where: Base-Base interactions energy: -153.630 where: short stacking energy: -82.796 Base-Backbone interact. energy: 0.687 local terms energy: -195.518802 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -62.450 flat angles C4'-P-C4' energy: -57.526 flat angles P-C4'-P energy: -28.851 tors. eta vs tors. theta energy: 5.982 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -298.667223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.667223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.667223 (E_RNA) where: Base-Base interactions energy: -103.075 where: short stacking energy: -88.447 Base-Backbone interact. energy: -0.055 local terms energy: -195.537363 where: bonds (distance) C4'-P energy: -44.545 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -42.099 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -274.752319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.752319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.752319 (E_RNA) where: Base-Base interactions energy: -97.824 where: short stacking energy: -80.567 Base-Backbone interact. energy: 0.295 local terms energy: -177.223710 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -39.620 flat angles P-C4'-P energy: -28.261 tors. eta vs tors. theta energy: 11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -791.270609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.270609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.270609 (E_RNA) where: Base-Base interactions energy: -483.696 where: short stacking energy: -260.309 Base-Backbone interact. energy: -1.350 local terms energy: -306.223666 where: bonds (distance) C4'-P energy: -61.114 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -76.698 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -61.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -694.807907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.807907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.807907 (E_RNA) where: Base-Base interactions energy: -412.283 where: short stacking energy: -226.390 Base-Backbone interact. energy: -0.182 local terms energy: -282.342972 where: bonds (distance) C4'-P energy: -55.600 bonds (distance) P-C4' energy: -64.320 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -41.569 tors. eta vs tors. theta energy: -50.082 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: 6 Temperature: 1.000000 Total energy: -724.356939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.356939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.356939 (E_RNA) where: Base-Base interactions energy: -446.246 where: short stacking energy: -213.288 Base-Backbone interact. energy: -0.145 local terms energy: -277.966095 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -21.791 tors. eta vs tors. theta energy: -54.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -649.167004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.167004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.167004 (E_RNA) where: Base-Base interactions energy: -392.341 where: short stacking energy: -174.613 Base-Backbone interact. energy: 0.590 local terms energy: -257.415629 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -67.197 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: -27.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -578.314537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.314537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.314537 (E_RNA) where: Base-Base interactions energy: -353.190 where: short stacking energy: -164.151 Base-Backbone interact. energy: -2.525 local terms energy: -222.600342 where: bonds (distance) C4'-P energy: -49.455 bonds (distance) P-C4' energy: -61.822 flat angles C4'-P-C4' energy: -55.918 flat angles P-C4'-P energy: -36.331 tors. eta vs tors. theta energy: -19.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -364.998993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.998993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.998993 (E_RNA) where: Base-Base interactions energy: -125.763 where: short stacking energy: -115.894 Base-Backbone interact. energy: 0.431 local terms energy: -239.666913 where: bonds (distance) C4'-P energy: -61.074 bonds (distance) P-C4' energy: -57.826 flat angles C4'-P-C4' energy: -71.590 flat angles P-C4'-P energy: -36.043 tors. eta vs tors. theta energy: -13.134 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: 4 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -384.409516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.409516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.409516 (E_RNA) where: Base-Base interactions energy: -180.090 where: short stacking energy: -115.558 Base-Backbone interact. energy: 1.100 local terms energy: -205.418676 where: bonds (distance) C4'-P energy: -54.605 bonds (distance) P-C4' energy: -56.028 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -24.040 tors. eta vs tors. theta energy: -4.844 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: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -335.362775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.362775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.362775 (E_RNA) where: Base-Base interactions energy: -150.611 where: short stacking energy: -102.911 Base-Backbone interact. energy: -1.414 local terms energy: -183.337804 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -60.421 flat angles P-C4'-P energy: -14.898 tors. eta vs tors. theta energy: 5.972 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -290.956914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.956914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.956914 (E_RNA) where: Base-Base interactions energy: -118.697 where: short stacking energy: -98.465 Base-Backbone interact. energy: 0.944 local terms energy: -173.204559 where: bonds (distance) C4'-P energy: -49.049 bonds (distance) P-C4' energy: -55.943 flat angles C4'-P-C4' energy: -43.301 flat angles P-C4'-P energy: -33.725 tors. eta vs tors. theta energy: 8.814 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: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -271.730447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.730447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.730447 (E_RNA) where: Base-Base interactions energy: -111.390 where: short stacking energy: -59.007 Base-Backbone interact. energy: -1.921 local terms energy: -158.419656 where: bonds (distance) C4'-P energy: -44.002 bonds (distance) P-C4' energy: -52.601 flat angles C4'-P-C4' energy: -48.611 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: 18.122 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: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -791.860976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.860976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.860976 (E_RNA) where: Base-Base interactions energy: -487.294 where: short stacking energy: -243.984 Base-Backbone interact. energy: -2.007 local terms energy: -302.559795 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -72.874 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -65.979 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: 5 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -886.144086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.144086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.144086 (E_RNA) where: Base-Base interactions energy: -608.204 where: short stacking energy: -237.331 Base-Backbone interact. energy: -0.243 local terms energy: -277.696866 where: bonds (distance) C4'-P energy: -56.721 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -40.835 tors. eta vs tors. theta energy: -55.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -711.461155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.461155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.461155 (E_RNA) where: Base-Base interactions energy: -413.846 where: short stacking energy: -246.845 Base-Backbone interact. energy: -1.466 local terms energy: -296.149028 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -67.476 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: -54.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -687.906821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.906821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.906821 (E_RNA) where: Base-Base interactions energy: -414.516 where: short stacking energy: -208.651 Base-Backbone interact. energy: -0.541 local terms energy: -272.849504 where: bonds (distance) C4'-P energy: -64.194 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -67.008 flat angles P-C4'-P energy: -34.374 tors. eta vs tors. theta energy: -40.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -653.940350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.940350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.940350 (E_RNA) where: Base-Base interactions energy: -409.167 where: short stacking energy: -197.416 Base-Backbone interact. energy: 0.646 local terms energy: -245.418522 where: bonds (distance) C4'-P energy: -52.328 bonds (distance) P-C4' energy: -59.685 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -31.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -496.643209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.643209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.643209 (E_RNA) where: Base-Base interactions energy: -254.685 where: short stacking energy: -143.884 Base-Backbone interact. energy: -0.922 local terms energy: -241.035916 where: bonds (distance) C4'-P energy: -59.943 bonds (distance) P-C4' energy: -72.034 flat angles C4'-P-C4' energy: -55.843 flat angles P-C4'-P energy: -31.239 tors. eta vs tors. theta energy: -21.978 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -344.723304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.723304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.723304 (E_RNA) where: Base-Base interactions energy: -141.499 where: short stacking energy: -106.221 Base-Backbone interact. energy: -0.785 local terms energy: -202.439558 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -52.725 flat angles C4'-P-C4' energy: -61.900 flat angles P-C4'-P energy: -28.336 tors. eta vs tors. theta energy: -7.075 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: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -343.841988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.841988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.841988 (E_RNA) where: Base-Base interactions energy: -117.014 where: short stacking energy: -105.434 Base-Backbone interact. energy: -0.878 local terms energy: -225.949771 where: bonds (distance) C4'-P energy: -54.385 bonds (distance) P-C4' energy: -70.685 flat angles C4'-P-C4' energy: -62.142 flat angles P-C4'-P energy: -38.824 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -319.188373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.188373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.188373 (E_RNA) where: Base-Base interactions energy: -125.841 where: short stacking energy: -87.260 Base-Backbone interact. energy: 1.683 local terms energy: -195.030586 where: bonds (distance) C4'-P energy: -54.660 bonds (distance) P-C4' energy: -63.865 flat angles C4'-P-C4' energy: -58.671 flat angles P-C4'-P energy: -18.169 tors. eta vs tors. theta energy: 0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -261.215177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.215177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.215177 (E_RNA) where: Base-Base interactions energy: -82.708 where: short stacking energy: -72.432 Base-Backbone interact. energy: -2.065 local terms energy: -176.442739 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -41.392 flat angles C4'-P-C4' energy: -52.545 flat angles P-C4'-P energy: -33.736 tors. eta vs tors. theta energy: 6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -954.944131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.944131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.944131 (E_RNA) where: Base-Base interactions energy: -627.762 where: short stacking energy: -292.556 Base-Backbone interact. energy: -1.422 local terms energy: -325.759992 where: bonds (distance) C4'-P energy: -69.637 bonds (distance) P-C4' energy: -60.807 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -43.533 tors. eta vs tors. theta energy: -69.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -791.568660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.568660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.568660 (E_RNA) where: Base-Base interactions energy: -490.391 where: short stacking energy: -246.946 Base-Backbone interact. energy: 0.378 local terms energy: -301.555656 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -65.967 flat angles C4'-P-C4' energy: -71.884 flat angles P-C4'-P energy: -41.082 tors. eta vs tors. theta energy: -60.383 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -771.528898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.528898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.528898 (E_RNA) where: Base-Base interactions energy: -473.857 where: short stacking energy: -223.235 Base-Backbone interact. energy: -2.180 local terms energy: -295.492298 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -51.776 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: 8 Temperature: 1.050000 Total energy: -667.556026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.556026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.556026 (E_RNA) where: Base-Base interactions energy: -388.088 where: short stacking energy: -224.988 Base-Backbone interact. energy: -2.191 local terms energy: -277.277566 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -75.597 flat angles C4'-P-C4' energy: -66.070 flat angles P-C4'-P energy: -31.817 tors. eta vs tors. theta energy: -49.526 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: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -625.508859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.508859 (E_RNA) where: Base-Base interactions energy: -354.240 where: short stacking energy: -203.247 Base-Backbone interact. energy: -2.286 local terms energy: -268.982667 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -63.074 flat angles C4'-P-C4' energy: -61.907 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -41.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -505.182804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.182804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.182804 (E_RNA) where: Base-Base interactions energy: -284.903 where: short stacking energy: -158.248 Base-Backbone interact. energy: 1.926 local terms energy: -222.206031 where: bonds (distance) C4'-P energy: -49.500 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -57.531 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: -18.034 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: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -341.411656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.411656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.411656 (E_RNA) where: Base-Base interactions energy: -152.198 where: short stacking energy: -121.411 Base-Backbone interact. energy: 3.318 local terms energy: -192.531080 where: bonds (distance) C4'-P energy: -40.263 bonds (distance) P-C4' energy: -63.395 flat angles C4'-P-C4' energy: -63.028 flat angles P-C4'-P energy: -27.211 tors. eta vs tors. theta energy: 1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -349.992195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.992195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.992195 (E_RNA) where: Base-Base interactions energy: -140.837 where: short stacking energy: -107.222 Base-Backbone interact. energy: -0.908 local terms energy: -208.247280 where: bonds (distance) C4'-P energy: -56.277 bonds (distance) P-C4' energy: -53.815 flat angles C4'-P-C4' energy: -57.890 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -303.853695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.853695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.853695 (E_RNA) where: Base-Base interactions energy: -99.149 where: short stacking energy: -88.570 Base-Backbone interact. energy: 0.292 local terms energy: -204.995838 where: bonds (distance) C4'-P energy: -67.415 bonds (distance) P-C4' energy: -59.210 flat angles C4'-P-C4' energy: -56.914 flat angles P-C4'-P energy: -28.435 tors. eta vs tors. theta energy: 6.979 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: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -266.042648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.042648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.042648 (E_RNA) where: Base-Base interactions energy: -99.282 where: short stacking energy: -75.222 Base-Backbone interact. energy: -1.281 local terms energy: -165.480090 where: bonds (distance) C4'-P energy: -33.421 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -43.931 flat angles P-C4'-P energy: -30.701 tors. eta vs tors. theta energy: 1.243 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: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -959.017182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.017182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.017182 (E_RNA) where: Base-Base interactions energy: -632.928 where: short stacking energy: -291.349 Base-Backbone interact. energy: -0.627 local terms energy: -325.461647 where: bonds (distance) C4'-P energy: -57.416 bonds (distance) P-C4' energy: -65.865 flat angles C4'-P-C4' energy: -74.093 flat angles P-C4'-P energy: -52.028 tors. eta vs tors. theta energy: -76.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -782.795314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.795314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.795314 (E_RNA) where: Base-Base interactions energy: -473.824 where: short stacking energy: -222.541 Base-Backbone interact. energy: -2.556 local terms energy: -306.414608 where: bonds (distance) C4'-P energy: -76.793 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -66.614 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -53.728 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -763.989326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.989326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.989326 (E_RNA) where: Base-Base interactions energy: -465.098 where: short stacking energy: -236.388 Base-Backbone interact. energy: 1.469 local terms energy: -300.360357 where: bonds (distance) C4'-P energy: -52.624 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -76.438 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: -60.744 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: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -620.186522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.186522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.186522 (E_RNA) where: Base-Base interactions energy: -372.956 where: short stacking energy: -198.956 Base-Backbone interact. energy: 2.966 local terms energy: -250.196152 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -37.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -629.342735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.342735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.342735 (E_RNA) where: Base-Base interactions energy: -359.722 where: short stacking energy: -198.749 Base-Backbone interact. energy: -0.009 local terms energy: -269.611810 where: bonds (distance) C4'-P energy: -59.345 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -60.701 flat angles P-C4'-P energy: -46.191 tors. eta vs tors. theta energy: -36.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -570.532363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.532363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.532363 (E_RNA) where: Base-Base interactions energy: -315.761 where: short stacking energy: -165.206 Base-Backbone interact. energy: -0.409 local terms energy: -254.362415 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -65.937 flat angles C4'-P-C4' energy: -58.125 flat angles P-C4'-P energy: -43.636 tors. eta vs tors. theta energy: -27.040 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: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -330.214381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.214381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.214381 (E_RNA) where: Base-Base interactions energy: -121.429 where: short stacking energy: -97.642 Base-Backbone interact. energy: -1.659 local terms energy: -207.126316 where: bonds (distance) C4'-P energy: -49.908 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -51.077 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -391.716040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.716040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.716040 (E_RNA) where: Base-Base interactions energy: -187.146 where: short stacking energy: -105.165 Base-Backbone interact. energy: 2.578 local terms energy: -207.148023 where: bonds (distance) C4'-P energy: -45.464 bonds (distance) P-C4' energy: -72.452 flat angles C4'-P-C4' energy: -51.845 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -4.781 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: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -306.191477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.191477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.191477 (E_RNA) where: Base-Base interactions energy: -112.417 where: short stacking energy: -89.993 Base-Backbone interact. energy: -0.634 local terms energy: -193.141083 where: bonds (distance) C4'-P energy: -63.278 bonds (distance) P-C4' energy: -57.528 flat angles C4'-P-C4' energy: -45.456 flat angles P-C4'-P energy: -30.845 tors. eta vs tors. theta energy: 3.965 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: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -274.996830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.996830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.996830 (E_RNA) where: Base-Base interactions energy: -107.753 where: short stacking energy: -87.837 Base-Backbone interact. energy: -0.426 local terms energy: -166.817641 where: bonds (distance) C4'-P energy: -49.899 bonds (distance) P-C4' energy: -65.748 flat angles C4'-P-C4' energy: -39.184 flat angles P-C4'-P energy: -26.228 tors. eta vs tors. theta energy: 14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -958.584839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.584839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.584839 (E_RNA) where: Base-Base interactions energy: -629.275 where: short stacking energy: -277.547 Base-Backbone interact. energy: -0.092 local terms energy: -329.218512 where: bonds (distance) C4'-P energy: -66.628 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -67.751 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -80.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -844.153279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.153279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.153279 (E_RNA) where: Base-Base interactions energy: -534.455 where: short stacking energy: -230.112 Base-Backbone interact. energy: -1.558 local terms energy: -308.140343 where: bonds (distance) C4'-P energy: -65.943 bonds (distance) P-C4' energy: -67.184 flat angles C4'-P-C4' energy: -75.119 flat angles P-C4'-P energy: -42.118 tors. eta vs tors. theta energy: -57.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -748.419103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.419103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.419103 (E_RNA) where: Base-Base interactions energy: -474.902 where: short stacking energy: -239.834 Base-Backbone interact. energy: 2.249 local terms energy: -275.766747 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -60.421 flat angles C4'-P-C4' energy: -67.011 flat angles P-C4'-P energy: -32.803 tors. eta vs tors. theta energy: -52.628 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -681.530475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.530475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.530475 (E_RNA) where: Base-Base interactions energy: -420.506 where: short stacking energy: -200.573 Base-Backbone interact. energy: 0.364 local terms energy: -261.388239 where: bonds (distance) C4'-P energy: -56.401 bonds (distance) P-C4' energy: -59.083 flat angles C4'-P-C4' energy: -69.327 flat angles P-C4'-P energy: -34.911 tors. eta vs tors. theta energy: -41.667 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: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -639.143176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.143176 (E_RNA) where: Base-Base interactions energy: -371.629 where: short stacking energy: -193.754 Base-Backbone interact. energy: -1.745 local terms energy: -265.768902 where: bonds (distance) C4'-P energy: -54.372 bonds (distance) P-C4' energy: -69.486 flat angles C4'-P-C4' energy: -61.009 flat angles P-C4'-P energy: -37.828 tors. eta vs tors. theta energy: -43.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -558.889835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.889835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.889835 (E_RNA) where: Base-Base interactions energy: -317.408 where: short stacking energy: -187.487 Base-Backbone interact. energy: 2.741 local terms energy: -244.223345 where: bonds (distance) C4'-P energy: -63.536 bonds (distance) P-C4' energy: -52.210 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -33.142 tors. eta vs tors. theta energy: -37.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -404.795997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.795997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.795997 (E_RNA) where: Base-Base interactions energy: -188.780 where: short stacking energy: -121.302 Base-Backbone interact. energy: -1.019 local terms energy: -214.996806 where: bonds (distance) C4'-P energy: -54.107 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -59.521 flat angles P-C4'-P energy: -33.687 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: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -328.827325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.827325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.827325 (E_RNA) where: Base-Base interactions energy: -125.623 where: short stacking energy: -98.366 Base-Backbone interact. energy: 3.889 local terms energy: -207.093211 where: bonds (distance) C4'-P energy: -58.310 bonds (distance) P-C4' energy: -59.203 flat angles C4'-P-C4' energy: -55.803 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -1.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -312.878516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.878516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.878516 (E_RNA) where: Base-Base interactions energy: -116.777 where: short stacking energy: -96.837 Base-Backbone interact. energy: -0.309 local terms energy: -195.792050 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -22.105 tors. eta vs tors. theta energy: -5.515 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: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -285.872702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.872702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.872702 (E_RNA) where: Base-Base interactions energy: -100.374 where: short stacking energy: -77.287 Base-Backbone interact. energy: -0.546 local terms energy: -184.952036 where: bonds (distance) C4'-P energy: -45.796 bonds (distance) P-C4' energy: -57.019 flat angles C4'-P-C4' energy: -48.354 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: 1.008 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: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -957.876842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.876842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.876842 (E_RNA) where: Base-Base interactions energy: -639.643 where: short stacking energy: -279.556 Base-Backbone interact. energy: -0.786 local terms energy: -317.447715 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -60.665 flat angles C4'-P-C4' energy: -80.452 flat angles P-C4'-P energy: -37.020 tors. eta vs tors. theta energy: -77.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -850.990911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.990911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.990911 (E_RNA) where: Base-Base interactions energy: -552.948 where: short stacking energy: -250.382 Base-Backbone interact. energy: -2.536 local terms energy: -295.507187 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -67.430 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: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -768.713685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.713685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.713685 (E_RNA) where: Base-Base interactions energy: -486.697 where: short stacking energy: -229.614 Base-Backbone interact. energy: -0.878 local terms energy: -281.138993 where: bonds (distance) C4'-P energy: -59.942 bonds (distance) P-C4' energy: -66.412 flat angles C4'-P-C4' energy: -67.642 flat angles P-C4'-P energy: -40.650 tors. eta vs tors. theta energy: -46.493 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -771.108546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.108546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.108546 (E_RNA) where: Base-Base interactions energy: -500.966 where: short stacking energy: -228.229 Base-Backbone interact. energy: -0.378 local terms energy: -269.765359 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -65.920 flat angles C4'-P-C4' energy: -64.939 flat angles P-C4'-P energy: -29.621 tors. eta vs tors. theta energy: -49.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -647.127162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.127162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.127162 (E_RNA) where: Base-Base interactions energy: -386.691 where: short stacking energy: -215.062 Base-Backbone interact. energy: -3.050 local terms energy: -257.386527 where: bonds (distance) C4'-P energy: -58.474 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -62.745 flat angles P-C4'-P energy: -32.893 tors. eta vs tors. theta energy: -40.718 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: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -624.779308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.779308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.779308 (E_RNA) where: Base-Base interactions energy: -344.849 where: short stacking energy: -189.289 Base-Backbone interact. energy: -2.159 local terms energy: -277.770547 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -57.121 flat angles P-C4'-P energy: -52.805 tors. eta vs tors. theta energy: -46.162 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: 11 Temperature: 1.200000 Total energy: -473.862537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.862537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.862537 (E_RNA) where: Base-Base interactions energy: -254.755 where: short stacking energy: -148.367 Base-Backbone interact. energy: -1.708 local terms energy: -217.400143 where: bonds (distance) C4'-P energy: -47.028 bonds (distance) P-C4' energy: -55.967 flat angles C4'-P-C4' energy: -54.796 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: -23.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -371.511366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.511366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.511366 (E_RNA) where: Base-Base interactions energy: -176.889 where: short stacking energy: -89.180 Base-Backbone interact. energy: -2.072 local terms energy: -192.550461 where: bonds (distance) C4'-P energy: -56.873 bonds (distance) P-C4' energy: -67.543 flat angles C4'-P-C4' energy: -40.272 flat angles P-C4'-P energy: -32.569 tors. eta vs tors. theta energy: 4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -308.474942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.474942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.474942 (E_RNA) where: Base-Base interactions energy: -107.917 where: short stacking energy: -98.807 Base-Backbone interact. energy: -0.190 local terms energy: -200.368419 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -53.574 flat angles C4'-P-C4' energy: -51.747 flat angles P-C4'-P energy: -32.865 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -300.748455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.748455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.748455 (E_RNA) where: Base-Base interactions energy: -130.582 where: short stacking energy: -81.310 Base-Backbone interact. energy: 2.242 local terms energy: -172.409113 where: bonds (distance) C4'-P energy: -59.398 bonds (distance) P-C4' energy: -55.431 flat angles C4'-P-C4' energy: -43.240 flat angles P-C4'-P energy: -24.411 tors. eta vs tors. theta energy: 10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1017.359392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.359392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.359392 (E_RNA) where: Base-Base interactions energy: -677.004 where: short stacking energy: -299.215 Base-Backbone interact. energy: -2.026 local terms energy: -338.329487 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -68.264 flat angles P-C4'-P energy: -42.935 tors. eta vs tors. theta energy: -82.664 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: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -854.396361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.396361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.396361 (E_RNA) where: Base-Base interactions energy: -546.465 where: short stacking energy: -261.348 Base-Backbone interact. energy: -3.077 local terms energy: -304.853865 where: bonds (distance) C4'-P energy: -59.931 bonds (distance) P-C4' energy: -69.552 flat angles C4'-P-C4' energy: -66.860 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -66.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -761.856859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.856859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.856859 (E_RNA) where: Base-Base interactions energy: -485.878 where: short stacking energy: -231.989 Base-Backbone interact. energy: -2.647 local terms energy: -273.331965 where: bonds (distance) C4'-P energy: -54.427 bonds (distance) P-C4' energy: -65.603 flat angles C4'-P-C4' energy: -63.715 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -43.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -724.349297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.349297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.349297 (E_RNA) where: Base-Base interactions energy: -454.764 where: short stacking energy: -210.180 Base-Backbone interact. energy: -1.318 local terms energy: -268.267518 where: bonds (distance) C4'-P energy: -54.954 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -58.363 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -43.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -636.994762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.994762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.994762 (E_RNA) where: Base-Base interactions energy: -398.273 where: short stacking energy: -197.227 Base-Backbone interact. energy: -2.241 local terms energy: -236.480574 where: bonds (distance) C4'-P energy: -59.475 bonds (distance) P-C4' energy: -63.788 flat angles C4'-P-C4' energy: -43.449 flat angles P-C4'-P energy: -34.787 tors. eta vs tors. theta energy: -34.981 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: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -603.678375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.678375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.678375 (E_RNA) where: Base-Base interactions energy: -343.862 where: short stacking energy: -182.049 Base-Backbone interact. energy: 2.824 local terms energy: -262.640399 where: bonds (distance) C4'-P energy: -56.125 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -66.866 flat angles P-C4'-P energy: -30.766 tors. eta vs tors. theta energy: -43.201 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: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -490.096329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.096329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.096329 (E_RNA) where: Base-Base interactions energy: -256.466 where: short stacking energy: -149.423 Base-Backbone interact. energy: -1.244 local terms energy: -232.385586 where: bonds (distance) C4'-P energy: -54.228 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -51.470 flat angles P-C4'-P energy: -35.291 tors. eta vs tors. theta energy: -25.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -389.162180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.162180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.162180 (E_RNA) where: Base-Base interactions energy: -160.002 where: short stacking energy: -107.520 Base-Backbone interact. energy: -0.493 local terms energy: -228.667557 where: bonds (distance) C4'-P energy: -58.177 bonds (distance) P-C4' energy: -51.373 flat angles C4'-P-C4' energy: -57.762 flat angles P-C4'-P energy: -34.429 tors. eta vs tors. theta energy: -26.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -335.133198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.133198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.133198 (E_RNA) where: Base-Base interactions energy: -145.397 where: short stacking energy: -96.386 Base-Backbone interact. energy: 0.882 local terms energy: -190.618135 where: bonds (distance) C4'-P energy: -60.792 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -42.481 flat angles P-C4'-P energy: -28.117 tors. eta vs tors. theta energy: 1.633 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: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -259.411275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.411275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.411275 (E_RNA) where: Base-Base interactions energy: -106.370 where: short stacking energy: -75.150 Base-Backbone interact. energy: -0.400 local terms energy: -152.642241 where: bonds (distance) C4'-P energy: -50.176 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -36.684 flat angles P-C4'-P energy: -21.298 tors. eta vs tors. theta energy: 7.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1017.692863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.692863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.692863 (E_RNA) where: Base-Base interactions energy: -653.746 where: short stacking energy: -302.793 Base-Backbone interact. energy: -1.074 local terms energy: -362.872549 where: bonds (distance) C4'-P energy: -75.154 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -73.113 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -90.956 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: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -818.611400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.611400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.611400 (E_RNA) where: Base-Base interactions energy: -506.553 where: short stacking energy: -253.977 Base-Backbone interact. energy: -1.595 local terms energy: -310.463524 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -60.192 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -54.205 tors. eta vs tors. theta energy: -65.276 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: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -864.944559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.944559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.944559 (E_RNA) where: Base-Base interactions energy: -550.611 where: short stacking energy: -239.904 Base-Backbone interact. energy: 1.013 local terms energy: -315.345786 where: bonds (distance) C4'-P energy: -68.867 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -44.896 tors. eta vs tors. theta energy: -68.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -678.187346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.187346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.187346 (E_RNA) where: Base-Base interactions energy: -414.994 where: short stacking energy: -195.534 Base-Backbone interact. energy: -1.222 local terms energy: -261.971856 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -66.086 flat angles P-C4'-P energy: -27.905 tors. eta vs tors. theta energy: -41.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -640.580947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.580947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.580947 (E_RNA) where: Base-Base interactions energy: -374.498 where: short stacking energy: -205.019 Base-Backbone interact. energy: -0.969 local terms energy: -265.114699 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -66.774 flat angles C4'-P-C4' energy: -52.544 flat angles P-C4'-P energy: -34.939 tors. eta vs tors. theta energy: -45.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -502.050022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.050022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.050022 (E_RNA) where: Base-Base interactions energy: -255.737 where: short stacking energy: -153.268 Base-Backbone interact. energy: -1.050 local terms energy: -245.262467 where: bonds (distance) C4'-P energy: -54.830 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -52.786 flat angles P-C4'-P energy: -42.929 tors. eta vs tors. theta energy: -31.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -512.421793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.421793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.421793 (E_RNA) where: Base-Base interactions energy: -268.676 where: short stacking energy: -141.029 Base-Backbone interact. energy: -0.954 local terms energy: -242.790873 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -62.917 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -32.041 tors. eta vs tors. theta energy: -31.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -360.959633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.959633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.959633 (E_RNA) where: Base-Base interactions energy: -167.785 where: short stacking energy: -93.004 Base-Backbone interact. energy: -0.560 local terms energy: -192.614239 where: bonds (distance) C4'-P energy: -47.054 bonds (distance) P-C4' energy: -61.697 flat angles C4'-P-C4' energy: -52.893 flat angles P-C4'-P energy: -21.767 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -391.501957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.501957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.501957 (E_RNA) where: Base-Base interactions energy: -168.042 where: short stacking energy: -100.596 Base-Backbone interact. energy: -1.636 local terms energy: -221.824531 where: bonds (distance) C4'-P energy: -56.782 bonds (distance) P-C4' energy: -66.094 flat angles C4'-P-C4' energy: -55.909 flat angles P-C4'-P energy: -31.269 tors. eta vs tors. theta energy: -11.770 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: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -301.389947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.389947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.389947 (E_RNA) where: Base-Base interactions energy: -139.642 where: short stacking energy: -73.531 Base-Backbone interact. energy: -0.038 local terms energy: -161.709361 where: bonds (distance) C4'-P energy: -48.079 bonds (distance) P-C4' energy: -52.251 flat angles C4'-P-C4' energy: -49.442 flat angles P-C4'-P energy: -17.442 tors. eta vs tors. theta energy: 5.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1007.123072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.123072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.123072 (E_RNA) where: Base-Base interactions energy: -655.362 where: short stacking energy: -315.824 Base-Backbone interact. energy: -1.221 local terms energy: -350.540517 where: bonds (distance) C4'-P energy: -63.784 bonds (distance) P-C4' energy: -71.533 flat angles C4'-P-C4' energy: -78.206 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -91.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -825.052680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.052680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.052680 (E_RNA) where: Base-Base interactions energy: -526.956 where: short stacking energy: -260.093 Base-Backbone interact. energy: -1.532 local terms energy: -296.564855 where: bonds (distance) C4'-P energy: -66.707 bonds (distance) P-C4' energy: -53.893 flat angles C4'-P-C4' energy: -63.264 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -66.226 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: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -878.675368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.675368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.675368 (E_RNA) where: Base-Base interactions energy: -568.763 where: short stacking energy: -233.384 Base-Backbone interact. energy: -1.934 local terms energy: -307.977891 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -77.086 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -60.614 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: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -743.215641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.215641 (E_RNA) where: Base-Base interactions energy: -463.795 where: short stacking energy: -217.158 Base-Backbone interact. energy: 1.274 local terms energy: -280.694400 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -49.454 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -53.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -578.617025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.617025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.617025 (E_RNA) where: Base-Base interactions energy: -337.241 where: short stacking energy: -164.787 Base-Backbone interact. energy: 1.583 local terms energy: -242.958615 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -68.927 flat angles C4'-P-C4' energy: -59.874 flat angles P-C4'-P energy: -28.049 tors. eta vs tors. theta energy: -27.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -568.872191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.872191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.872191 (E_RNA) where: Base-Base interactions energy: -322.364 where: short stacking energy: -190.423 Base-Backbone interact. energy: -2.137 local terms energy: -244.371857 where: bonds (distance) C4'-P energy: -57.543 bonds (distance) P-C4' energy: -58.426 flat angles C4'-P-C4' energy: -55.894 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -38.863 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: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -506.953715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.953715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.953715 (E_RNA) where: Base-Base interactions energy: -267.325 where: short stacking energy: -145.600 Base-Backbone interact. energy: 1.065 local terms energy: -240.693840 where: bonds (distance) C4'-P energy: -44.143 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -56.462 flat angles P-C4'-P energy: -39.933 tors. eta vs tors. theta energy: -30.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -362.704978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.704978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.704978 (E_RNA) where: Base-Base interactions energy: -157.942 where: short stacking energy: -103.169 Base-Backbone interact. energy: -1.166 local terms energy: -203.596534 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -55.259 flat angles C4'-P-C4' energy: -55.236 flat angles P-C4'-P energy: -22.487 tors. eta vs tors. theta energy: -8.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -413.662853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.662853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.662853 (E_RNA) where: Base-Base interactions energy: -198.075 where: short stacking energy: -121.588 Base-Backbone interact. energy: 2.703 local terms energy: -218.290801 where: bonds (distance) C4'-P energy: -43.959 bonds (distance) P-C4' energy: -66.799 flat angles C4'-P-C4' energy: -44.876 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -21.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -388.489724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.489724 (E_RNA) where: Base-Base interactions energy: -212.480 where: short stacking energy: -119.238 Base-Backbone interact. energy: -1.181 local terms energy: -174.828525 where: bonds (distance) C4'-P energy: -51.015 bonds (distance) P-C4' energy: -56.274 flat angles C4'-P-C4' energy: -51.913 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -8.749 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: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1006.175693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.175693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.175693 (E_RNA) where: Base-Base interactions energy: -653.339 where: short stacking energy: -298.897 Base-Backbone interact. energy: -0.643 local terms energy: -352.193520 where: bonds (distance) C4'-P energy: -64.036 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -97.454 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: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -867.020381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.020381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.020381 (E_RNA) where: Base-Base interactions energy: -551.781 where: short stacking energy: -232.000 Base-Backbone interact. energy: -2.492 local terms energy: -312.746867 where: bonds (distance) C4'-P energy: -65.379 bonds (distance) P-C4' energy: -66.991 flat angles C4'-P-C4' energy: -68.472 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -64.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -800.314135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.314135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.314135 (E_RNA) where: Base-Base interactions energy: -488.416 where: short stacking energy: -245.373 Base-Backbone interact. energy: -3.079 local terms energy: -308.819713 where: bonds (distance) C4'-P energy: -67.986 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -69.346 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -56.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -755.727411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.727411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.727411 (E_RNA) where: Base-Base interactions energy: -452.981 where: short stacking energy: -214.139 Base-Backbone interact. energy: -2.941 local terms energy: -299.805026 where: bonds (distance) C4'-P energy: -71.340 bonds (distance) P-C4' energy: -68.811 flat angles C4'-P-C4' energy: -62.864 flat angles P-C4'-P energy: -38.696 tors. eta vs tors. theta energy: -58.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -630.496287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.496287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.496287 (E_RNA) where: Base-Base interactions energy: -379.210 where: short stacking energy: -194.977 Base-Backbone interact. energy: -0.313 local terms energy: -250.973276 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -59.850 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: -43.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -552.788786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.788786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.788786 (E_RNA) where: Base-Base interactions energy: -299.659 where: short stacking energy: -170.908 Base-Backbone interact. energy: 1.164 local terms energy: -254.293821 where: bonds (distance) C4'-P energy: -64.522 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -56.677 flat angles P-C4'-P energy: -37.305 tors. eta vs tors. theta energy: -32.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -497.033347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.033347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.033347 (E_RNA) where: Base-Base interactions energy: -256.268 where: short stacking energy: -154.792 Base-Backbone interact. energy: -0.489 local terms energy: -240.276520 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -51.364 flat angles C4'-P-C4' energy: -56.355 flat angles P-C4'-P energy: -33.083 tors. eta vs tors. theta energy: -34.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -461.157375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.157375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.157375 (E_RNA) where: Base-Base interactions energy: -256.775 where: short stacking energy: -169.887 Base-Backbone interact. energy: 4.130 local terms energy: -208.512093 where: bonds (distance) C4'-P energy: -49.324 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -44.541 flat angles P-C4'-P energy: -22.238 tors. eta vs tors. theta energy: -36.998 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: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -330.222296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.222296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.222296 (E_RNA) where: Base-Base interactions energy: -153.144 where: short stacking energy: -96.549 Base-Backbone interact. energy: -2.828 local terms energy: -174.249596 where: bonds (distance) C4'-P energy: -42.666 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -41.000 flat angles P-C4'-P energy: -29.329 tors. eta vs tors. theta energy: 6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -435.353791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.353791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.353791 (E_RNA) where: Base-Base interactions energy: -219.550 where: short stacking energy: -115.638 Base-Backbone interact. energy: 0.609 local terms energy: -216.412839 where: bonds (distance) C4'-P energy: -56.559 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -55.668 flat angles P-C4'-P energy: -36.063 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1015.992897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.992897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.992897 (E_RNA) where: Base-Base interactions energy: -664.916 where: short stacking energy: -316.304 Base-Backbone interact. energy: 0.399 local terms energy: -351.475633 where: bonds (distance) C4'-P energy: -65.497 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -48.595 tors. eta vs tors. theta energy: -94.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -905.325951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.325951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.325951 (E_RNA) where: Base-Base interactions energy: -594.856 where: short stacking energy: -260.955 Base-Backbone interact. energy: -4.471 local terms energy: -305.998656 where: bonds (distance) C4'-P energy: -70.318 bonds (distance) P-C4' energy: -64.024 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -61.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -789.598645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.598645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.598645 (E_RNA) where: Base-Base interactions energy: -494.841 where: short stacking energy: -238.913 Base-Backbone interact. energy: -1.912 local terms energy: -292.845043 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -62.223 flat angles C4'-P-C4' energy: -71.358 flat angles P-C4'-P energy: -47.235 tors. eta vs tors. theta energy: -54.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -828.069508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.069508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.069508 (E_RNA) where: Base-Base interactions energy: -524.829 where: short stacking energy: -220.463 Base-Backbone interact. energy: 2.752 local terms energy: -305.992224 where: bonds (distance) C4'-P energy: -66.247 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -71.604 flat angles P-C4'-P energy: -33.753 tors. eta vs tors. theta energy: -58.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -636.353550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.353550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.353550 (E_RNA) where: Base-Base interactions energy: -371.681 where: short stacking energy: -195.814 Base-Backbone interact. energy: -0.428 local terms energy: -264.244848 where: bonds (distance) C4'-P energy: -61.896 bonds (distance) P-C4' energy: -59.022 flat angles C4'-P-C4' energy: -67.148 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -29.430 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: 16 Temperature: 1.150000 Total energy: -591.656405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.656405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.656405 (E_RNA) where: Base-Base interactions energy: -328.389 where: short stacking energy: -140.730 Base-Backbone interact. energy: -0.754 local terms energy: -262.514183 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -71.351 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: -28.491 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: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -474.234222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.234222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.234222 (E_RNA) where: Base-Base interactions energy: -254.553 where: short stacking energy: -145.348 Base-Backbone interact. energy: -0.291 local terms energy: -219.390433 where: bonds (distance) C4'-P energy: -42.365 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -58.124 flat angles P-C4'-P energy: -34.302 tors. eta vs tors. theta energy: -15.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -485.701345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.701345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.701345 (E_RNA) where: Base-Base interactions energy: -257.420 where: short stacking energy: -135.154 Base-Backbone interact. energy: -0.473 local terms energy: -227.808657 where: bonds (distance) C4'-P energy: -55.560 bonds (distance) P-C4' energy: -52.295 flat angles C4'-P-C4' energy: -62.846 flat angles P-C4'-P energy: -31.616 tors. eta vs tors. theta energy: -25.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -393.010750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.010750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.010750 (E_RNA) where: Base-Base interactions energy: -196.536 where: short stacking energy: -127.578 Base-Backbone interact. energy: 2.221 local terms energy: -198.694936 where: bonds (distance) C4'-P energy: -56.356 bonds (distance) P-C4' energy: -55.666 flat angles C4'-P-C4' energy: -51.155 flat angles P-C4'-P energy: -34.449 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -311.942416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.942416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.942416 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -93.712 Base-Backbone interact. energy: -2.400 local terms energy: -188.725928 where: bonds (distance) C4'-P energy: -64.247 bonds (distance) P-C4' energy: -58.196 flat angles C4'-P-C4' energy: -42.991 flat angles P-C4'-P energy: -19.404 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1025.327536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.327536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.327536 (E_RNA) where: Base-Base interactions energy: -675.305 where: short stacking energy: -315.958 Base-Backbone interact. energy: -1.409 local terms energy: -348.613751 where: bonds (distance) C4'-P energy: -65.475 bonds (distance) P-C4' energy: -66.595 flat angles C4'-P-C4' energy: -75.425 flat angles P-C4'-P energy: -50.772 tors. eta vs tors. theta energy: -90.347 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -922.813432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.813432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.813432 (E_RNA) where: Base-Base interactions energy: -612.346 where: short stacking energy: -243.518 Base-Backbone interact. energy: 0.560 local terms energy: -311.027970 where: bonds (distance) C4'-P energy: -66.570 bonds (distance) P-C4' energy: -69.766 flat angles C4'-P-C4' energy: -71.250 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -61.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -825.120802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.120802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.120802 (E_RNA) where: Base-Base interactions energy: -528.570 where: short stacking energy: -243.334 Base-Backbone interact. energy: -3.597 local terms energy: -292.954562 where: bonds (distance) C4'-P energy: -51.130 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -43.112 tors. eta vs tors. theta energy: -63.445 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: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -811.294713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.294713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.294713 (E_RNA) where: Base-Base interactions energy: -521.797 where: short stacking energy: -236.893 Base-Backbone interact. energy: -0.912 local terms energy: -288.585244 where: bonds (distance) C4'-P energy: -75.350 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -59.294 flat angles P-C4'-P energy: -31.197 tors. eta vs tors. theta energy: -66.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -607.908522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.908522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.908522 (E_RNA) where: Base-Base interactions energy: -338.650 where: short stacking energy: -179.237 Base-Backbone interact. energy: 0.501 local terms energy: -269.758743 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -53.210 flat angles P-C4'-P energy: -53.614 tors. eta vs tors. theta energy: -40.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -604.494817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.494817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.494817 (E_RNA) where: Base-Base interactions energy: -341.878 where: short stacking energy: -172.795 Base-Backbone interact. energy: -0.142 local terms energy: -262.474408 where: bonds (distance) C4'-P energy: -51.116 bonds (distance) P-C4' energy: -57.034 flat angles C4'-P-C4' energy: -72.338 flat angles P-C4'-P energy: -41.797 tors. eta vs tors. theta energy: -40.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -459.772015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.772015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.772015 (E_RNA) where: Base-Base interactions energy: -240.904 where: short stacking energy: -129.976 Base-Backbone interact. energy: -2.262 local terms energy: -216.605511 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -60.070 flat angles C4'-P-C4' energy: -42.586 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -512.557865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.557865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.557865 (E_RNA) where: Base-Base interactions energy: -266.895 where: short stacking energy: -124.078 Base-Backbone interact. energy: 1.036 local terms energy: -246.698867 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -61.336 flat angles P-C4'-P energy: -38.902 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -421.010517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.010517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.010517 (E_RNA) where: Base-Base interactions energy: -202.307 where: short stacking energy: -128.643 Base-Backbone interact. energy: -2.927 local terms energy: -215.776446 where: bonds (distance) C4'-P energy: -44.684 bonds (distance) P-C4' energy: -59.714 flat angles C4'-P-C4' energy: -52.270 flat angles P-C4'-P energy: -40.405 tors. eta vs tors. theta energy: -18.704 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: 10, replica: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -332.653889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.653889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.653889 (E_RNA) where: Base-Base interactions energy: -129.846 where: short stacking energy: -59.648 Base-Backbone interact. energy: -0.078 local terms energy: -202.729200 where: bonds (distance) C4'-P energy: -46.267 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: 5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1024.661064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.661064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.661064 (E_RNA) where: Base-Base interactions energy: -660.094 where: short stacking energy: -310.724 Base-Backbone interact. energy: -0.639 local terms energy: -363.928497 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -67.114 flat angles C4'-P-C4' energy: -76.717 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -92.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -945.441900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.441900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.441900 (E_RNA) where: Base-Base interactions energy: -631.958 where: short stacking energy: -275.109 Base-Backbone interact. energy: -3.014 local terms energy: -310.469951 where: bonds (distance) C4'-P energy: -66.370 bonds (distance) P-C4' energy: -57.985 flat angles C4'-P-C4' energy: -64.828 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -75.114 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -819.137582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.137582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.137582 (E_RNA) where: Base-Base interactions energy: -513.295 where: short stacking energy: -249.786 Base-Backbone interact. energy: -1.468 local terms energy: -304.374558 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -71.844 flat angles C4'-P-C4' energy: -68.699 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -55.244 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: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -769.489592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.489592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.489592 (E_RNA) where: Base-Base interactions energy: -503.769 where: short stacking energy: -224.674 Base-Backbone interact. energy: -1.042 local terms energy: -264.678676 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -49.341 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -51.612 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: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -678.280534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.280534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.280534 (E_RNA) where: Base-Base interactions energy: -398.122 where: short stacking energy: -218.891 Base-Backbone interact. energy: -0.686 local terms energy: -279.472361 where: bonds (distance) C4'-P energy: -55.877 bonds (distance) P-C4' energy: -63.774 flat angles C4'-P-C4' energy: -58.924 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: -53.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -625.051017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.051017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.051017 (E_RNA) where: Base-Base interactions energy: -372.322 where: short stacking energy: -203.932 Base-Backbone interact. energy: 0.110 local terms energy: -252.838915 where: bonds (distance) C4'-P energy: -70.259 bonds (distance) P-C4' energy: -60.101 flat angles C4'-P-C4' energy: -39.426 flat angles P-C4'-P energy: -38.784 tors. eta vs tors. theta energy: -44.269 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -536.513023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.513023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.513023 (E_RNA) where: Base-Base interactions energy: -273.889 where: short stacking energy: -155.335 Base-Backbone interact. energy: -0.922 local terms energy: -261.702336 where: bonds (distance) C4'-P energy: -64.154 bonds (distance) P-C4' energy: -65.983 flat angles C4'-P-C4' energy: -59.297 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: -32.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -403.710593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.710593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.710593 (E_RNA) where: Base-Base interactions energy: -172.902 where: short stacking energy: -120.753 Base-Backbone interact. energy: -0.296 local terms energy: -230.512220 where: bonds (distance) C4'-P energy: -57.842 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -58.296 flat angles P-C4'-P energy: -39.819 tors. eta vs tors. theta energy: -19.336 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: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -400.538554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.538554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.538554 (E_RNA) where: Base-Base interactions energy: -188.088 where: short stacking energy: -100.499 Base-Backbone interact. energy: -0.345 local terms energy: -212.105375 where: bonds (distance) C4'-P energy: -42.414 bonds (distance) P-C4' energy: -59.296 flat angles C4'-P-C4' energy: -60.151 flat angles P-C4'-P energy: -40.887 tors. eta vs tors. theta energy: -9.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -336.631302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.631302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.631302 (E_RNA) where: Base-Base interactions energy: -163.185 where: short stacking energy: -108.736 Base-Backbone interact. energy: -1.600 local terms energy: -171.846596 where: bonds (distance) C4'-P energy: -43.150 bonds (distance) P-C4' energy: -48.905 flat angles C4'-P-C4' energy: -45.675 flat angles P-C4'-P energy: -33.470 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1026.195344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.195344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.195344 (E_RNA) where: Base-Base interactions energy: -687.364 where: short stacking energy: -308.471 Base-Backbone interact. energy: -1.317 local terms energy: -337.515194 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -68.932 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -81.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -929.427911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.427911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.427911 (E_RNA) where: Base-Base interactions energy: -621.496 where: short stacking energy: -257.591 Base-Backbone interact. energy: -0.905 local terms energy: -307.027032 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -68.198 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -71.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -828.112825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.112825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.112825 (E_RNA) where: Base-Base interactions energy: -543.765 where: short stacking energy: -244.472 Base-Backbone interact. energy: -1.295 local terms energy: -283.052836 where: bonds (distance) C4'-P energy: -51.520 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -59.175 flat angles P-C4'-P energy: -43.516 tors. eta vs tors. theta energy: -65.489 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: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -828.451146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.451146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.451146 (E_RNA) where: Base-Base interactions energy: -570.370 where: short stacking energy: -249.029 Base-Backbone interact. energy: -1.907 local terms energy: -256.173980 where: bonds (distance) C4'-P energy: -47.341 bonds (distance) P-C4' energy: -55.304 flat angles C4'-P-C4' energy: -59.887 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: -54.748 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: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -649.878139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.878139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.878139 (E_RNA) where: Base-Base interactions energy: -364.328 where: short stacking energy: -189.335 Base-Backbone interact. energy: -1.307 local terms energy: -284.243090 where: bonds (distance) C4'-P energy: -64.376 bonds (distance) P-C4' energy: -69.014 flat angles C4'-P-C4' energy: -65.297 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -35.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -598.330251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.330251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.330251 (E_RNA) where: Base-Base interactions energy: -334.839 where: short stacking energy: -159.234 Base-Backbone interact. energy: -0.029 local terms energy: -263.462475 where: bonds (distance) C4'-P energy: -64.517 bonds (distance) P-C4' energy: -57.807 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -47.576 tors. eta vs tors. theta energy: -31.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -524.040815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.040815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.040815 (E_RNA) where: Base-Base interactions energy: -299.997 where: short stacking energy: -171.871 Base-Backbone interact. energy: 3.375 local terms energy: -227.418556 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -54.717 flat angles C4'-P-C4' energy: -59.676 flat angles P-C4'-P energy: -28.837 tors. eta vs tors. theta energy: -26.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -453.396090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.396090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.396090 (E_RNA) where: Base-Base interactions energy: -219.450 where: short stacking energy: -123.285 Base-Backbone interact. energy: -0.466 local terms energy: -233.479339 where: bonds (distance) C4'-P energy: -64.924 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -31.434 tors. eta vs tors. theta energy: -20.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -298.611086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.611086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.611086 (E_RNA) where: Base-Base interactions energy: -123.612 where: short stacking energy: -82.486 Base-Backbone interact. energy: 0.443 local terms energy: -175.441882 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -40.602 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: 14.981 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: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -340.899467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.899467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.899467 (E_RNA) where: Base-Base interactions energy: -154.154 where: short stacking energy: -87.894 Base-Backbone interact. energy: 0.761 local terms energy: -187.506977 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -60.542 flat angles C4'-P-C4' energy: -53.629 flat angles P-C4'-P energy: -33.662 tors. eta vs tors. theta energy: 10.865 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: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1048.962045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.962045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.962045 (E_RNA) where: Base-Base interactions energy: -707.854 where: short stacking energy: -333.329 Base-Backbone interact. energy: -1.719 local terms energy: -339.389031 where: bonds (distance) C4'-P energy: -63.034 bonds (distance) P-C4' energy: -71.568 flat angles C4'-P-C4' energy: -72.083 flat angles P-C4'-P energy: -47.205 tors. eta vs tors. theta energy: -85.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -947.642217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.642217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.642217 (E_RNA) where: Base-Base interactions energy: -623.614 where: short stacking energy: -270.515 Base-Backbone interact. energy: 3.084 local terms energy: -327.111346 where: bonds (distance) C4'-P energy: -63.907 bonds (distance) P-C4' energy: -71.309 flat angles C4'-P-C4' energy: -70.000 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -79.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -868.844243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.844243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.844243 (E_RNA) where: Base-Base interactions energy: -568.728 where: short stacking energy: -247.683 Base-Backbone interact. energy: 0.481 local terms energy: -300.596352 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -59.625 flat angles P-C4'-P energy: -43.874 tors. eta vs tors. theta energy: -61.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -768.688230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.688230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.688230 (E_RNA) where: Base-Base interactions energy: -499.162 where: short stacking energy: -237.985 Base-Backbone interact. energy: -1.183 local terms energy: -268.343068 where: bonds (distance) C4'-P energy: -64.160 bonds (distance) P-C4' energy: -48.500 flat angles C4'-P-C4' energy: -52.742 flat angles P-C4'-P energy: -36.819 tors. eta vs tors. theta energy: -66.121 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: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -703.845959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.845959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.845959 (E_RNA) where: Base-Base interactions energy: -426.345 where: short stacking energy: -212.340 Base-Backbone interact. energy: -1.690 local terms energy: -275.810742 where: bonds (distance) C4'-P energy: -62.868 bonds (distance) P-C4' energy: -49.533 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -49.982 tors. eta vs tors. theta energy: -48.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -630.386926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.386926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.386926 (E_RNA) where: Base-Base interactions energy: -367.535 where: short stacking energy: -185.653 Base-Backbone interact. energy: -1.298 local terms energy: -261.553750 where: bonds (distance) C4'-P energy: -52.811 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -60.334 flat angles P-C4'-P energy: -38.179 tors. eta vs tors. theta energy: -34.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -507.660594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.660594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.660594 (E_RNA) where: Base-Base interactions energy: -286.918 where: short stacking energy: -149.993 Base-Backbone interact. energy: -1.622 local terms energy: -219.120369 where: bonds (distance) C4'-P energy: -55.167 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -56.249 flat angles P-C4'-P energy: -27.594 tors. eta vs tors. theta energy: -18.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -524.865507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.865507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.865507 (E_RNA) where: Base-Base interactions energy: -288.621 where: short stacking energy: -147.663 Base-Backbone interact. energy: -3.023 local terms energy: -233.221729 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -62.948 flat angles C4'-P-C4' energy: -52.262 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -384.771549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.771549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.771549 (E_RNA) where: Base-Base interactions energy: -170.939 where: short stacking energy: -107.388 Base-Backbone interact. energy: 0.765 local terms energy: -214.597737 where: bonds (distance) C4'-P energy: -50.694 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -65.914 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -304.437164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.437164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.437164 (E_RNA) where: Base-Base interactions energy: -117.726 where: short stacking energy: -74.635 Base-Backbone interact. energy: -1.194 local terms energy: -185.516611 where: bonds (distance) C4'-P energy: -46.280 bonds (distance) P-C4' energy: -57.926 flat angles C4'-P-C4' energy: -49.422 flat angles P-C4'-P energy: -30.504 tors. eta vs tors. theta energy: -1.384 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: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1059.044551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.044551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.044551 (E_RNA) where: Base-Base interactions energy: -729.735 where: short stacking energy: -317.165 Base-Backbone interact. energy: -0.193 local terms energy: -329.116404 where: bonds (distance) C4'-P energy: -63.266 bonds (distance) P-C4' energy: -63.592 flat angles C4'-P-C4' energy: -72.529 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: -82.967 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: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -942.091708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.091708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.091708 (E_RNA) where: Base-Base interactions energy: -635.651 where: short stacking energy: -269.780 Base-Backbone interact. energy: 1.696 local terms energy: -308.136724 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -56.435 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -74.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -898.141013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.141013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.141013 (E_RNA) where: Base-Base interactions energy: -583.028 where: short stacking energy: -255.642 Base-Backbone interact. energy: -1.529 local terms energy: -313.584152 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -72.256 flat angles C4'-P-C4' energy: -74.584 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -64.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -784.508359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.508359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.508359 (E_RNA) where: Base-Base interactions energy: -498.096 where: short stacking energy: -219.076 Base-Backbone interact. energy: -2.637 local terms energy: -283.775456 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -54.685 flat angles C4'-P-C4' energy: -66.792 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: -59.804 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -782.286206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.286206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.286206 (E_RNA) where: Base-Base interactions energy: -491.513 where: short stacking energy: -218.530 Base-Backbone interact. energy: -1.033 local terms energy: -289.740587 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -60.492 flat angles C4'-P-C4' energy: -65.146 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -57.611 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: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -669.437642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.437642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.437642 (E_RNA) where: Base-Base interactions energy: -399.584 where: short stacking energy: -180.212 Base-Backbone interact. energy: -1.780 local terms energy: -268.073214 where: bonds (distance) C4'-P energy: -65.659 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -40.546 tors. eta vs tors. theta energy: -30.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -507.640385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.640385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.640385 (E_RNA) where: Base-Base interactions energy: -275.009 where: short stacking energy: -122.679 Base-Backbone interact. energy: 4.423 local terms energy: -237.054173 where: bonds (distance) C4'-P energy: -52.860 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -62.891 flat angles P-C4'-P energy: -38.895 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -467.460544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.460544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.460544 (E_RNA) where: Base-Base interactions energy: -251.190 where: short stacking energy: -138.019 Base-Backbone interact. energy: 0.080 local terms energy: -216.350270 where: bonds (distance) C4'-P energy: -62.465 bonds (distance) P-C4' energy: -53.982 flat angles C4'-P-C4' energy: -50.667 flat angles P-C4'-P energy: -32.424 tors. eta vs tors. theta energy: -16.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -415.648671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.648671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.648671 (E_RNA) where: Base-Base interactions energy: -222.878 where: short stacking energy: -132.880 Base-Backbone interact. energy: 2.777 local terms energy: -195.546885 where: bonds (distance) C4'-P energy: -45.367 bonds (distance) P-C4' energy: -51.492 flat angles C4'-P-C4' energy: -46.953 flat angles P-C4'-P energy: -35.888 tors. eta vs tors. theta energy: -15.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -300.417854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.417854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.417854 (E_RNA) where: Base-Base interactions energy: -128.999 where: short stacking energy: -76.527 Base-Backbone interact. energy: -1.322 local terms energy: -170.096698 where: bonds (distance) C4'-P energy: -46.293 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -44.950 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: 3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1055.202188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.202188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.202188 (E_RNA) where: Base-Base interactions energy: -706.333 where: short stacking energy: -310.537 Base-Backbone interact. energy: -0.261 local terms energy: -348.607811 where: bonds (distance) C4'-P energy: -69.096 bonds (distance) P-C4' energy: -75.918 flat angles C4'-P-C4' energy: -76.348 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -79.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -918.730143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.730143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.730143 (E_RNA) where: Base-Base interactions energy: -618.549 where: short stacking energy: -268.150 Base-Backbone interact. energy: -0.433 local terms energy: -299.747594 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -65.715 flat angles C4'-P-C4' energy: -63.923 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -71.943 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: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -903.880228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.880228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.880228 (E_RNA) where: Base-Base interactions energy: -609.711 where: short stacking energy: -262.099 Base-Backbone interact. energy: -1.185 local terms energy: -292.983616 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -62.757 flat angles C4'-P-C4' energy: -65.705 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -67.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -812.294839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.294839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.294839 (E_RNA) where: Base-Base interactions energy: -524.635 where: short stacking energy: -243.622 Base-Backbone interact. energy: -0.148 local terms energy: -287.511628 where: bonds (distance) C4'-P energy: -51.880 bonds (distance) P-C4' energy: -61.775 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -35.870 tors. eta vs tors. theta energy: -66.587 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: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -775.438341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.438341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.438341 (E_RNA) where: Base-Base interactions energy: -510.574 where: short stacking energy: -227.955 Base-Backbone interact. energy: -1.744 local terms energy: -263.120055 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -58.781 flat angles C4'-P-C4' energy: -46.233 flat angles P-C4'-P energy: -36.834 tors. eta vs tors. theta energy: -61.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -728.313072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.313072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.313072 (E_RNA) where: Base-Base interactions energy: -453.918 where: short stacking energy: -224.954 Base-Backbone interact. energy: -0.080 local terms energy: -274.314697 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -62.010 flat angles C4'-P-C4' energy: -64.707 flat angles P-C4'-P energy: -32.393 tors. eta vs tors. theta energy: -47.838 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: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -514.461404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.461404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.461404 (E_RNA) where: Base-Base interactions energy: -281.830 where: short stacking energy: -118.550 Base-Backbone interact. energy: -2.355 local terms energy: -230.276061 where: bonds (distance) C4'-P energy: -59.896 bonds (distance) P-C4' energy: -59.077 flat angles C4'-P-C4' energy: -60.682 flat angles P-C4'-P energy: -37.349 tors. eta vs tors. theta energy: -13.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -454.783292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.783292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.783292 (E_RNA) where: Base-Base interactions energy: -241.359 where: short stacking energy: -134.327 Base-Backbone interact. energy: -2.750 local terms energy: -210.674734 where: bonds (distance) C4'-P energy: -48.232 bonds (distance) P-C4' energy: -49.931 flat angles C4'-P-C4' energy: -64.995 flat angles P-C4'-P energy: -31.068 tors. eta vs tors. theta energy: -16.449 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: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -426.163298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.163298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.163298 (E_RNA) where: Base-Base interactions energy: -220.357 where: short stacking energy: -113.340 Base-Backbone interact. energy: -0.574 local terms energy: -205.231839 where: bonds (distance) C4'-P energy: -61.286 bonds (distance) P-C4' energy: -56.119 flat angles C4'-P-C4' energy: -50.004 flat angles P-C4'-P energy: -30.559 tors. eta vs tors. theta energy: -7.264 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: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -266.909136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.909136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.909136 (E_RNA) where: Base-Base interactions energy: -104.733 where: short stacking energy: -79.717 Base-Backbone interact. energy: -2.652 local terms energy: -159.524269 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -35.350 flat angles P-C4'-P energy: -15.450 tors. eta vs tors. theta energy: 9.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1059.426703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.426703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.426703 (E_RNA) where: Base-Base interactions energy: -723.365 where: short stacking energy: -314.656 Base-Backbone interact. energy: -1.143 local terms energy: -334.919221 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -78.900 flat angles P-C4'-P energy: -58.378 tors. eta vs tors. theta energy: -82.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -951.182010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.182010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.182010 (E_RNA) where: Base-Base interactions energy: -622.937 where: short stacking energy: -286.377 Base-Backbone interact. energy: 0.753 local terms energy: -328.998837 where: bonds (distance) C4'-P energy: -70.137 bonds (distance) P-C4' energy: -65.410 flat angles C4'-P-C4' energy: -72.792 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -78.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -897.548954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.548954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.548954 (E_RNA) where: Base-Base interactions energy: -602.057 where: short stacking energy: -247.519 Base-Backbone interact. energy: 0.715 local terms energy: -296.206707 where: bonds (distance) C4'-P energy: -48.081 bonds (distance) P-C4' energy: -70.005 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -64.660 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -834.091426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.091426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.091426 (E_RNA) where: Base-Base interactions energy: -533.258 where: short stacking energy: -247.992 Base-Backbone interact. energy: 0.723 local terms energy: -301.556208 where: bonds (distance) C4'-P energy: -54.725 bonds (distance) P-C4' energy: -62.267 flat angles C4'-P-C4' energy: -70.691 flat angles P-C4'-P energy: -51.338 tors. eta vs tors. theta energy: -62.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -753.428267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.428267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.428267 (E_RNA) where: Base-Base interactions energy: -482.297 where: short stacking energy: -236.585 Base-Backbone interact. energy: -1.232 local terms energy: -269.899670 where: bonds (distance) C4'-P energy: -58.722 bonds (distance) P-C4' energy: -43.683 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -55.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -752.868500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.868500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.868500 (E_RNA) where: Base-Base interactions energy: -473.441 where: short stacking energy: -246.207 Base-Backbone interact. energy: -2.660 local terms energy: -276.767074 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -53.203 flat angles C4'-P-C4' energy: -66.162 flat angles P-C4'-P energy: -31.396 tors. eta vs tors. theta energy: -60.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -591.838396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.838396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.838396 (E_RNA) where: Base-Base interactions energy: -370.647 where: short stacking energy: -167.588 Base-Backbone interact. energy: -0.807 local terms energy: -220.384397 where: bonds (distance) C4'-P energy: -51.509 bonds (distance) P-C4' energy: -53.993 flat angles C4'-P-C4' energy: -54.448 flat angles P-C4'-P energy: -31.563 tors. eta vs tors. theta energy: -28.871 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: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -424.331226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.331226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.331226 (E_RNA) where: Base-Base interactions energy: -196.523 where: short stacking energy: -109.918 Base-Backbone interact. energy: -0.863 local terms energy: -226.944946 where: bonds (distance) C4'-P energy: -51.310 bonds (distance) P-C4' energy: -66.892 flat angles C4'-P-C4' energy: -58.269 flat angles P-C4'-P energy: -36.077 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -393.459087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.459087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.459087 (E_RNA) where: Base-Base interactions energy: -209.491 where: short stacking energy: -109.243 Base-Backbone interact. energy: 4.500 local terms energy: -188.468215 where: bonds (distance) C4'-P energy: -54.839 bonds (distance) P-C4' energy: -53.463 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -17.948 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -269.871737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.871737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.871737 (E_RNA) where: Base-Base interactions energy: -100.821 where: short stacking energy: -71.537 Base-Backbone interact. energy: -1.859 local terms energy: -167.192268 where: bonds (distance) C4'-P energy: -49.060 bonds (distance) P-C4' energy: -55.844 flat angles C4'-P-C4' energy: -45.672 flat angles P-C4'-P energy: -29.254 tors. eta vs tors. theta energy: 12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1058.885034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.885034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.885034 (E_RNA) where: Base-Base interactions energy: -715.101 where: short stacking energy: -320.847 Base-Backbone interact. energy: -0.549 local terms energy: -343.234518 where: bonds (distance) C4'-P energy: -70.708 bonds (distance) P-C4' energy: -64.293 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -87.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -979.600814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.600814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.600814 (E_RNA) where: Base-Base interactions energy: -657.720 where: short stacking energy: -279.930 Base-Backbone interact. energy: 0.717 local terms energy: -322.597196 where: bonds (distance) C4'-P energy: -64.598 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -75.401 flat angles P-C4'-P energy: -41.814 tors. eta vs tors. theta energy: -83.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -898.923863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.923863 (E_RNA) where: Base-Base interactions energy: -609.494 where: short stacking energy: -247.589 Base-Backbone interact. energy: -2.190 local terms energy: -287.239894 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -72.760 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -65.201 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: 4, replica: 7 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -839.289428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.289428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.289428 (E_RNA) where: Base-Base interactions energy: -551.154 where: short stacking energy: -215.234 Base-Backbone interact. energy: -5.844 local terms energy: -282.291254 where: bonds (distance) C4'-P energy: -67.349 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -56.183 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: -57.312 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: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -785.114429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.114429 (E_RNA) where: Base-Base interactions energy: -490.412 where: short stacking energy: -239.260 Base-Backbone interact. energy: -0.720 local terms energy: -293.982467 where: bonds (distance) C4'-P energy: -55.063 bonds (distance) P-C4' energy: -64.339 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -40.511 tors. eta vs tors. theta energy: -70.859 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: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -709.499553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.499553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.499553 (E_RNA) where: Base-Base interactions energy: -419.445 where: short stacking energy: -212.581 Base-Backbone interact. energy: -0.696 local terms energy: -289.359231 where: bonds (distance) C4'-P energy: -55.826 bonds (distance) P-C4' energy: -59.391 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -43.826 tors. eta vs tors. theta energy: -62.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -632.756620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.756620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.756620 (E_RNA) where: Base-Base interactions energy: -376.701 where: short stacking energy: -170.325 Base-Backbone interact. energy: -0.531 local terms energy: -255.524369 where: bonds (distance) C4'-P energy: -56.602 bonds (distance) P-C4' energy: -60.417 flat angles C4'-P-C4' energy: -66.113 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -26.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -459.416777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.416777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.416777 (E_RNA) where: Base-Base interactions energy: -241.260 where: short stacking energy: -128.442 Base-Backbone interact. energy: -0.151 local terms energy: -218.005480 where: bonds (distance) C4'-P energy: -58.225 bonds (distance) P-C4' energy: -63.065 flat angles C4'-P-C4' energy: -51.550 flat angles P-C4'-P energy: -31.949 tors. eta vs tors. theta energy: -13.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -380.714543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.714543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.714543 (E_RNA) where: Base-Base interactions energy: -185.967 where: short stacking energy: -117.748 Base-Backbone interact. energy: 3.493 local terms energy: -198.240163 where: bonds (distance) C4'-P energy: -43.785 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -50.001 flat angles P-C4'-P energy: -39.672 tors. eta vs tors. theta energy: -1.601 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: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -265.028681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.028681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.028681 (E_RNA) where: Base-Base interactions energy: -93.620 where: short stacking energy: -75.018 Base-Backbone interact. energy: 0.371 local terms energy: -171.779869 where: bonds (distance) C4'-P energy: -61.102 bonds (distance) P-C4' energy: -54.188 flat angles C4'-P-C4' energy: -44.113 flat angles P-C4'-P energy: -25.294 tors. eta vs tors. theta energy: 12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1056.660599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.660599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.660599 (E_RNA) where: Base-Base interactions energy: -715.478 where: short stacking energy: -311.083 Base-Backbone interact. energy: 3.982 local terms energy: -345.165268 where: bonds (distance) C4'-P energy: -72.050 bonds (distance) P-C4' energy: -60.581 flat angles C4'-P-C4' energy: -70.438 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -84.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -996.382409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.382409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.382409 (E_RNA) where: Base-Base interactions energy: -664.429 where: short stacking energy: -291.396 Base-Backbone interact. energy: -1.841 local terms energy: -330.111950 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -62.519 flat angles C4'-P-C4' energy: -79.258 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: -89.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -887.656573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.656573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.656573 (E_RNA) where: Base-Base interactions energy: -601.922 where: short stacking energy: -257.245 Base-Backbone interact. energy: -1.707 local terms energy: -284.028273 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -65.902 flat angles P-C4'-P energy: -34.971 tors. eta vs tors. theta energy: -68.119 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: 7 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -888.697981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.697981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.697981 (E_RNA) where: Base-Base interactions energy: -588.602 where: short stacking energy: -226.174 Base-Backbone interact. energy: 1.672 local terms energy: -301.767662 where: bonds (distance) C4'-P energy: -69.135 bonds (distance) P-C4' energy: -68.833 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -39.791 tors. eta vs tors. theta energy: -59.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -790.743384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.743384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.743384 (E_RNA) where: Base-Base interactions energy: -494.964 where: short stacking energy: -240.439 Base-Backbone interact. energy: -0.913 local terms energy: -294.866230 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -63.276 flat angles P-C4'-P energy: -40.897 tors. eta vs tors. theta energy: -59.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -710.583091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.583091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.583091 (E_RNA) where: Base-Base interactions energy: -450.182 where: short stacking energy: -220.250 Base-Backbone interact. energy: -0.763 local terms energy: -259.638598 where: bonds (distance) C4'-P energy: -38.899 bonds (distance) P-C4' energy: -57.297 flat angles C4'-P-C4' energy: -66.721 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -54.828 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: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -617.141735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.141735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.141735 (E_RNA) where: Base-Base interactions energy: -398.642 where: short stacking energy: -187.824 Base-Backbone interact. energy: 0.072 local terms energy: -218.571912 where: bonds (distance) C4'-P energy: -60.184 bonds (distance) P-C4' energy: -47.466 flat angles C4'-P-C4' energy: -51.174 flat angles P-C4'-P energy: -21.792 tors. eta vs tors. theta energy: -37.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -420.834787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.834787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.834787 (E_RNA) where: Base-Base interactions energy: -203.375 where: short stacking energy: -113.648 Base-Backbone interact. energy: -0.508 local terms energy: -216.952189 where: bonds (distance) C4'-P energy: -63.885 bonds (distance) P-C4' energy: -41.695 flat angles C4'-P-C4' energy: -65.689 flat angles P-C4'-P energy: -37.491 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -329.937240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.937240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.937240 (E_RNA) where: Base-Base interactions energy: -136.636 where: short stacking energy: -84.714 Base-Backbone interact. energy: -0.105 local terms energy: -193.196403 where: bonds (distance) C4'-P energy: -50.309 bonds (distance) P-C4' energy: -55.249 flat angles C4'-P-C4' energy: -57.721 flat angles P-C4'-P energy: -27.670 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -357.799850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.799850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.799850 (E_RNA) where: Base-Base interactions energy: -185.895 where: short stacking energy: -108.362 Base-Backbone interact. energy: 2.599 local terms energy: -174.503191 where: bonds (distance) C4'-P energy: -43.615 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -36.680 flat angles P-C4'-P energy: -36.434 tors. eta vs tors. theta energy: 9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1032.881237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.881237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.881237 (E_RNA) where: Base-Base interactions energy: -705.390 where: short stacking energy: -296.469 Base-Backbone interact. energy: -0.268 local terms energy: -327.223530 where: bonds (distance) C4'-P energy: -65.997 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -79.797 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: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -970.428355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.428355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.428355 (E_RNA) where: Base-Base interactions energy: -656.926 where: short stacking energy: -276.300 Base-Backbone interact. energy: -1.420 local terms energy: -312.081727 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -69.112 flat angles C4'-P-C4' energy: -74.708 flat angles P-C4'-P energy: -33.153 tors. eta vs tors. theta energy: -77.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -907.233153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.233153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.233153 (E_RNA) where: Base-Base interactions energy: -576.836 where: short stacking energy: -264.496 Base-Backbone interact. energy: -0.469 local terms energy: -329.928313 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -69.595 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -46.715 tors. eta vs tors. theta energy: -77.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -853.849877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.849877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.849877 (E_RNA) where: Base-Base interactions energy: -572.382 where: short stacking energy: -228.938 Base-Backbone interact. energy: 2.124 local terms energy: -283.592132 where: bonds (distance) C4'-P energy: -57.906 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -67.635 flat angles P-C4'-P energy: -31.724 tors. eta vs tors. theta energy: -58.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -783.193430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.193430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.193430 (E_RNA) where: Base-Base interactions energy: -506.183 where: short stacking energy: -257.651 Base-Backbone interact. energy: 0.772 local terms energy: -277.782527 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -55.833 flat angles C4'-P-C4' energy: -63.653 flat angles P-C4'-P energy: -36.483 tors. eta vs tors. theta energy: -63.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -690.428541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.428541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.428541 (E_RNA) where: Base-Base interactions energy: -422.791 where: short stacking energy: -225.280 Base-Backbone interact. energy: -0.763 local terms energy: -266.874593 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -49.385 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -53.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -632.758105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.758105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.758105 (E_RNA) where: Base-Base interactions energy: -385.834 where: short stacking energy: -158.878 Base-Backbone interact. energy: -2.465 local terms energy: -244.458656 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -74.185 flat angles C4'-P-C4' energy: -44.374 flat angles P-C4'-P energy: -32.218 tors. eta vs tors. theta energy: -32.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -442.532681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.532681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.532681 (E_RNA) where: Base-Base interactions energy: -208.372 where: short stacking energy: -122.732 Base-Backbone interact. energy: 2.420 local terms energy: -236.580403 where: bonds (distance) C4'-P energy: -52.951 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -59.751 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -17.125 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: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -363.522038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.522038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.522038 (E_RNA) where: Base-Base interactions energy: -143.363 where: short stacking energy: -107.184 Base-Backbone interact. energy: -0.854 local terms energy: -219.304781 where: bonds (distance) C4'-P energy: -63.803 bonds (distance) P-C4' energy: -59.108 flat angles C4'-P-C4' energy: -57.552 flat angles P-C4'-P energy: -30.895 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -290.364244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.364244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.364244 (E_RNA) where: Base-Base interactions energy: -111.412 where: short stacking energy: -80.289 Base-Backbone interact. energy: -0.492 local terms energy: -178.459653 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -54.664 flat angles C4'-P-C4' energy: -48.460 flat angles P-C4'-P energy: -29.003 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: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1032.706218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.706218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.706218 (E_RNA) where: Base-Base interactions energy: -676.075 where: short stacking energy: -291.564 Base-Backbone interact. energy: -0.899 local terms energy: -355.732521 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -74.042 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: -90.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -982.673821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.673821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.673821 (E_RNA) where: Base-Base interactions energy: -654.670 where: short stacking energy: -288.850 Base-Backbone interact. energy: -0.976 local terms energy: -327.027259 where: bonds (distance) C4'-P energy: -67.409 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -75.740 flat angles P-C4'-P energy: -40.602 tors. eta vs tors. theta energy: -73.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -910.313133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.313133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.313133 (E_RNA) where: Base-Base interactions energy: -624.560 where: short stacking energy: -276.809 Base-Backbone interact. energy: 1.808 local terms energy: -287.561360 where: bonds (distance) C4'-P energy: -64.655 bonds (distance) P-C4' energy: -51.374 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -40.179 tors. eta vs tors. theta energy: -68.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -839.185508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.185508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.185508 (E_RNA) where: Base-Base interactions energy: -560.834 where: short stacking energy: -242.082 Base-Backbone interact. energy: 0.868 local terms energy: -279.219550 where: bonds (distance) C4'-P energy: -55.991 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -57.894 flat angles P-C4'-P energy: -35.384 tors. eta vs tors. theta energy: -64.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -798.160091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.160091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.160091 (E_RNA) where: Base-Base interactions energy: -512.974 where: short stacking energy: -243.778 Base-Backbone interact. energy: -1.688 local terms energy: -283.498608 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -56.064 flat angles P-C4'-P energy: -42.888 tors. eta vs tors. theta energy: -63.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -750.221156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.221156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.221156 (E_RNA) where: Base-Base interactions energy: -476.946 where: short stacking energy: -207.248 Base-Backbone interact. energy: -1.761 local terms energy: -271.514877 where: bonds (distance) C4'-P energy: -53.729 bonds (distance) P-C4' energy: -68.340 flat angles C4'-P-C4' energy: -59.186 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -44.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -624.064884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.064884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.064884 (E_RNA) where: Base-Base interactions energy: -405.371 where: short stacking energy: -181.239 Base-Backbone interact. energy: -1.100 local terms energy: -217.593527 where: bonds (distance) C4'-P energy: -39.148 bonds (distance) P-C4' energy: -61.314 flat angles C4'-P-C4' energy: -59.375 flat angles P-C4'-P energy: -28.406 tors. eta vs tors. theta energy: -29.351 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: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -436.247591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.247591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.247591 (E_RNA) where: Base-Base interactions energy: -225.798 where: short stacking energy: -147.272 Base-Backbone interact. energy: 4.089 local terms energy: -214.538381 where: bonds (distance) C4'-P energy: -33.332 bonds (distance) P-C4' energy: -64.693 flat angles C4'-P-C4' energy: -59.466 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -23.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -383.202854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.202854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.202854 (E_RNA) where: Base-Base interactions energy: -185.435 where: short stacking energy: -113.709 Base-Backbone interact. energy: -0.897 local terms energy: -196.870963 where: bonds (distance) C4'-P energy: -50.564 bonds (distance) P-C4' energy: -50.490 flat angles C4'-P-C4' energy: -46.181 flat angles P-C4'-P energy: -37.563 tors. eta vs tors. theta energy: -12.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -276.271240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.271240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.271240 (E_RNA) where: Base-Base interactions energy: -93.801 where: short stacking energy: -62.323 Base-Backbone interact. energy: -0.107 local terms energy: -182.362644 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -55.322 flat angles C4'-P-C4' energy: -65.911 flat angles P-C4'-P energy: -11.036 tors. eta vs tors. theta energy: 16.934 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: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1033.161606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.161606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.161606 (E_RNA) where: Base-Base interactions energy: -704.226 where: short stacking energy: -311.774 Base-Backbone interact. energy: -0.779 local terms energy: -328.156103 where: bonds (distance) C4'-P energy: -64.999 bonds (distance) P-C4' energy: -62.632 flat angles C4'-P-C4' energy: -75.045 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: -83.018 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: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -971.169955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.169955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.169955 (E_RNA) where: Base-Base interactions energy: -659.570 where: short stacking energy: -291.227 Base-Backbone interact. energy: 2.239 local terms energy: -313.838811 where: bonds (distance) C4'-P energy: -64.080 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -62.503 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -83.447 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: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -939.607708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.607708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.607708 (E_RNA) where: Base-Base interactions energy: -609.093 where: short stacking energy: -256.239 Base-Backbone interact. energy: -1.910 local terms energy: -328.605467 where: bonds (distance) C4'-P energy: -60.731 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -80.796 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: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -835.456915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.456915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.456915 (E_RNA) where: Base-Base interactions energy: -561.052 where: short stacking energy: -244.827 Base-Backbone interact. energy: 2.791 local terms energy: -277.195492 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -56.533 flat angles P-C4'-P energy: -33.883 tors. eta vs tors. theta energy: -58.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -819.696316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.696316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.696316 (E_RNA) where: Base-Base interactions energy: -518.449 where: short stacking energy: -239.663 Base-Backbone interact. energy: 0.214 local terms energy: -301.461432 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -66.021 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -63.350 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -733.282392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.282392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.282392 (E_RNA) where: Base-Base interactions energy: -468.516 where: short stacking energy: -241.161 Base-Backbone interact. energy: -0.503 local terms energy: -264.263237 where: bonds (distance) C4'-P energy: -48.901 bonds (distance) P-C4' energy: -58.855 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -41.710 tors. eta vs tors. theta energy: -47.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -621.596092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.596092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.596092 (E_RNA) where: Base-Base interactions energy: -384.321 where: short stacking energy: -168.605 Base-Backbone interact. energy: 2.102 local terms energy: -239.377594 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -63.547 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -34.427 tors. eta vs tors. theta energy: -37.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -443.301334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.301334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.301334 (E_RNA) where: Base-Base interactions energy: -238.066 where: short stacking energy: -135.403 Base-Backbone interact. energy: -1.536 local terms energy: -203.699566 where: bonds (distance) C4'-P energy: -43.808 bonds (distance) P-C4' energy: -71.695 flat angles C4'-P-C4' energy: -59.102 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -354.447769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.447769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.447769 (E_RNA) where: Base-Base interactions energy: -163.541 where: short stacking energy: -99.332 Base-Backbone interact. energy: -0.628 local terms energy: -190.278854 where: bonds (distance) C4'-P energy: -49.010 bonds (distance) P-C4' energy: -53.995 flat angles C4'-P-C4' energy: -55.960 flat angles P-C4'-P energy: -29.178 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -248.498491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.498491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.498491 (E_RNA) where: Base-Base interactions energy: -92.876 where: short stacking energy: -69.694 Base-Backbone interact. energy: -0.920 local terms energy: -154.703082 where: bonds (distance) C4'-P energy: -44.871 bonds (distance) P-C4' energy: -59.489 flat angles C4'-P-C4' energy: -48.233 flat angles P-C4'-P energy: -16.380 tors. eta vs tors. theta energy: 14.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1045.051642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.051642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.051642 (E_RNA) where: Base-Base interactions energy: -714.149 where: short stacking energy: -311.345 Base-Backbone interact. energy: -1.682 local terms energy: -329.220955 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -70.279 flat angles P-C4'-P energy: -53.133 tors. eta vs tors. theta energy: -83.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -977.932085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.932085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.932085 (E_RNA) where: Base-Base interactions energy: -651.490 where: short stacking energy: -269.376 Base-Backbone interact. energy: -3.007 local terms energy: -323.435611 where: bonds (distance) C4'-P energy: -62.767 bonds (distance) P-C4' energy: -59.860 flat angles C4'-P-C4' energy: -76.768 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -76.091 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: 29 Temperature: 1.000000 Total energy: -988.970100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.970100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.970100 (E_RNA) where: Base-Base interactions energy: -662.447 where: short stacking energy: -274.686 Base-Backbone interact. energy: -0.508 local terms energy: -326.014701 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -57.500 flat angles C4'-P-C4' energy: -74.377 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -84.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -826.375049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.375049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.375049 (E_RNA) where: Base-Base interactions energy: -541.238 where: short stacking energy: -246.293 Base-Backbone interact. energy: -0.030 local terms energy: -285.107216 where: bonds (distance) C4'-P energy: -49.849 bonds (distance) P-C4' energy: -63.432 flat angles C4'-P-C4' energy: -58.581 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: -65.756 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: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -807.285281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.285281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.285281 (E_RNA) where: Base-Base interactions energy: -545.728 where: short stacking energy: -214.233 Base-Backbone interact. energy: -2.010 local terms energy: -259.547490 where: bonds (distance) C4'-P energy: -46.623 bonds (distance) P-C4' energy: -58.280 flat angles C4'-P-C4' energy: -61.296 flat angles P-C4'-P energy: -35.177 tors. eta vs tors. theta energy: -58.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -731.743618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.743618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.743618 (E_RNA) where: Base-Base interactions energy: -463.411 where: short stacking energy: -214.328 Base-Backbone interact. energy: -0.802 local terms energy: -267.530282 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -56.968 flat angles C4'-P-C4' energy: -60.915 flat angles P-C4'-P energy: -39.776 tors. eta vs tors. theta energy: -44.758 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: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -628.426795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.426795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.426795 (E_RNA) where: Base-Base interactions energy: -383.593 where: short stacking energy: -174.888 Base-Backbone interact. energy: -1.035 local terms energy: -243.798859 where: bonds (distance) C4'-P energy: -67.339 bonds (distance) P-C4' energy: -56.001 flat angles C4'-P-C4' energy: -53.814 flat angles P-C4'-P energy: -34.339 tors. eta vs tors. theta energy: -32.305 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: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -374.668064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.668064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.668064 (E_RNA) where: Base-Base interactions energy: -181.246 where: short stacking energy: -123.377 Base-Backbone interact. energy: -0.794 local terms energy: -192.627562 where: bonds (distance) C4'-P energy: -55.202 bonds (distance) P-C4' energy: -49.877 flat angles C4'-P-C4' energy: -51.875 flat angles P-C4'-P energy: -26.152 tors. eta vs tors. theta energy: -9.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -438.706708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.706708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.706708 (E_RNA) where: Base-Base interactions energy: -239.067 where: short stacking energy: -121.979 Base-Backbone interact. energy: -0.142 local terms energy: -199.497455 where: bonds (distance) C4'-P energy: -54.817 bonds (distance) P-C4' energy: -52.874 flat angles C4'-P-C4' energy: -51.083 flat angles P-C4'-P energy: -30.795 tors. eta vs tors. theta energy: -9.928 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: 1 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -265.984927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.984927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.984927 (E_RNA) where: Base-Base interactions energy: -114.332 where: short stacking energy: -73.329 Base-Backbone interact. energy: -0.500 local terms energy: -151.152588 where: bonds (distance) C4'-P energy: -44.714 bonds (distance) P-C4' energy: -64.908 flat angles C4'-P-C4' energy: -34.636 flat angles P-C4'-P energy: -21.163 tors. eta vs tors. theta energy: 14.268 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: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1049.283119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.283119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.283119 (E_RNA) where: Base-Base interactions energy: -711.997 where: short stacking energy: -303.635 Base-Backbone interact. energy: -1.651 local terms energy: -335.635228 where: bonds (distance) C4'-P energy: -66.650 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: -80.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -971.855848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.855848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.855848 (E_RNA) where: Base-Base interactions energy: -662.077 where: short stacking energy: -283.343 Base-Backbone interact. energy: -1.985 local terms energy: -307.793951 where: bonds (distance) C4'-P energy: -63.277 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -35.101 tors. eta vs tors. theta energy: -73.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1035.879533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.879533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.879533 (E_RNA) where: Base-Base interactions energy: -696.491 where: short stacking energy: -293.626 Base-Backbone interact. energy: -2.171 local terms energy: -337.217142 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -73.870 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: -91.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -831.982078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.982078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.982078 (E_RNA) where: Base-Base interactions energy: -525.204 where: short stacking energy: -271.360 Base-Backbone interact. energy: -0.972 local terms energy: -305.806242 where: bonds (distance) C4'-P energy: -52.362 bonds (distance) P-C4' energy: -59.594 flat angles C4'-P-C4' energy: -71.422 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -77.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -796.322590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.322590 (E_RNA) where: Base-Base interactions energy: -524.601 where: short stacking energy: -213.758 Base-Backbone interact. energy: -1.865 local terms energy: -269.856637 where: bonds (distance) C4'-P energy: -64.349 bonds (distance) P-C4' energy: -58.406 flat angles C4'-P-C4' energy: -62.797 flat angles P-C4'-P energy: -37.282 tors. eta vs tors. theta energy: -47.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -704.648438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.648438 (E_RNA) where: Base-Base interactions energy: -458.980 where: short stacking energy: -209.990 Base-Backbone interact. energy: 1.900 local terms energy: -247.567982 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -52.747 flat angles C4'-P-C4' energy: -49.572 flat angles P-C4'-P energy: -28.410 tors. eta vs tors. theta energy: -50.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -628.511934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.511934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.511934 (E_RNA) where: Base-Base interactions energy: -371.816 where: short stacking energy: -181.316 Base-Backbone interact. energy: -1.140 local terms energy: -255.555721 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -63.646 flat angles C4'-P-C4' energy: -63.190 flat angles P-C4'-P energy: -34.825 tors. eta vs tors. theta energy: -27.151 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: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -362.072165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.072165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.072165 (E_RNA) where: Base-Base interactions energy: -169.627 where: short stacking energy: -111.660 Base-Backbone interact. energy: 1.520 local terms energy: -193.965395 where: bonds (distance) C4'-P energy: -48.771 bonds (distance) P-C4' energy: -58.284 flat angles C4'-P-C4' energy: -55.954 flat angles P-C4'-P energy: -26.542 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -420.130816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.130816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.130816 (E_RNA) where: Base-Base interactions energy: -237.491 where: short stacking energy: -118.581 Base-Backbone interact. energy: 1.145 local terms energy: -183.784519 where: bonds (distance) C4'-P energy: -41.906 bonds (distance) P-C4' energy: -60.401 flat angles C4'-P-C4' energy: -47.391 flat angles P-C4'-P energy: -28.721 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -272.329442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.329442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.329442 (E_RNA) where: Base-Base interactions energy: -105.049 where: short stacking energy: -77.134 Base-Backbone interact. energy: -1.786 local terms energy: -165.494317 where: bonds (distance) C4'-P energy: -55.348 bonds (distance) P-C4' energy: -39.375 flat angles C4'-P-C4' energy: -49.876 flat angles P-C4'-P energy: -31.164 tors. eta vs tors. theta energy: 10.268 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: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1065.695567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.695567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.695567 (E_RNA) where: Base-Base interactions energy: -718.585 where: short stacking energy: -300.963 Base-Backbone interact. energy: -1.390 local terms energy: -345.719945 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -90.207 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1091.584868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.584868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.584868 (E_RNA) where: Base-Base interactions energy: -745.269 where: short stacking energy: -330.983 Base-Backbone interact. energy: -2.239 local terms energy: -344.075959 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -72.171 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -91.750 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -930.440902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.440902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.440902 (E_RNA) where: Base-Base interactions energy: -620.291 where: short stacking energy: -254.995 Base-Backbone interact. energy: -1.379 local terms energy: -308.771520 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -65.751 flat angles P-C4'-P energy: -39.138 tors. eta vs tors. theta energy: -77.984 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: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -808.910987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.910987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.910987 (E_RNA) where: Base-Base interactions energy: -509.205 where: short stacking energy: -258.803 Base-Backbone interact. energy: -3.616 local terms energy: -296.089626 where: bonds (distance) C4'-P energy: -57.795 bonds (distance) P-C4' energy: -62.722 flat angles C4'-P-C4' energy: -60.447 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -77.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -808.026874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.026874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.026874 (E_RNA) where: Base-Base interactions energy: -517.800 where: short stacking energy: -222.525 Base-Backbone interact. energy: -1.492 local terms energy: -288.734470 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -55.169 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -43.068 tors. eta vs tors. theta energy: -61.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -652.114773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.114773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.114773 (E_RNA) where: Base-Base interactions energy: -418.832 where: short stacking energy: -185.438 Base-Backbone interact. energy: -1.840 local terms energy: -231.443280 where: bonds (distance) C4'-P energy: -40.668 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -62.168 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -32.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -652.784254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.784254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.784254 (E_RNA) where: Base-Base interactions energy: -415.515 where: short stacking energy: -184.539 Base-Backbone interact. energy: 0.509 local terms energy: -237.777970 where: bonds (distance) C4'-P energy: -60.798 bonds (distance) P-C4' energy: -53.087 flat angles C4'-P-C4' energy: -44.628 flat angles P-C4'-P energy: -41.942 tors. eta vs tors. theta energy: -37.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -425.140652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.140652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.140652 (E_RNA) where: Base-Base interactions energy: -225.738 where: short stacking energy: -131.291 Base-Backbone interact. energy: -0.571 local terms energy: -198.831143 where: bonds (distance) C4'-P energy: -57.324 bonds (distance) P-C4' energy: -53.544 flat angles C4'-P-C4' energy: -56.245 flat angles P-C4'-P energy: -23.715 tors. eta vs tors. theta energy: -8.003 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -344.044098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.044098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.044098 (E_RNA) where: Base-Base interactions energy: -157.904 where: short stacking energy: -86.861 Base-Backbone interact. energy: 2.201 local terms energy: -188.341343 where: bonds (distance) C4'-P energy: -51.880 bonds (distance) P-C4' energy: -35.365 flat angles C4'-P-C4' energy: -53.742 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -257.116313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.116313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.116313 (E_RNA) where: Base-Base interactions energy: -81.769 where: short stacking energy: -81.423 Base-Backbone interact. energy: 2.052 local terms energy: -177.399066 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -46.747 flat angles P-C4'-P energy: -28.161 tors. eta vs tors. theta energy: 17.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1127.265483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.265483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.265483 (E_RNA) where: Base-Base interactions energy: -766.623 where: short stacking energy: -323.352 Base-Backbone interact. energy: 1.297 local terms energy: -361.939495 where: bonds (distance) C4'-P energy: -69.012 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -74.349 flat angles P-C4'-P energy: -48.179 tors. eta vs tors. theta energy: -99.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1058.613897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.613897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.613897 (E_RNA) where: Base-Base interactions energy: -724.925 where: short stacking energy: -309.060 Base-Backbone interact. energy: -0.632 local terms energy: -333.057435 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -58.223 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -56.461 tors. eta vs tors. theta energy: -84.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -938.648277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.648277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.648277 (E_RNA) where: Base-Base interactions energy: -609.263 where: short stacking energy: -290.402 Base-Backbone interact. energy: -3.408 local terms energy: -325.977451 where: bonds (distance) C4'-P energy: -57.237 bonds (distance) P-C4' energy: -71.477 flat angles C4'-P-C4' energy: -67.687 flat angles P-C4'-P energy: -45.536 tors. eta vs tors. theta energy: -84.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -782.687551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.687551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.687551 (E_RNA) where: Base-Base interactions energy: -516.620 where: short stacking energy: -263.397 Base-Backbone interact. energy: -1.470 local terms energy: -264.597352 where: bonds (distance) C4'-P energy: -51.536 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -59.680 flat angles P-C4'-P energy: -32.294 tors. eta vs tors. theta energy: -61.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -868.813905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.813905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.813905 (E_RNA) where: Base-Base interactions energy: -585.626 where: short stacking energy: -256.541 Base-Backbone interact. energy: -1.126 local terms energy: -282.062150 where: bonds (distance) C4'-P energy: -45.130 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -64.236 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -69.290 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: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -705.198199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.198199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.198199 (E_RNA) where: Base-Base interactions energy: -453.818 where: short stacking energy: -208.469 Base-Backbone interact. energy: 0.412 local terms energy: -251.792189 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -55.463 flat angles P-C4'-P energy: -28.019 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: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -606.428897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.428897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.428897 (E_RNA) where: Base-Base interactions energy: -366.011 where: short stacking energy: -158.993 Base-Backbone interact. energy: 7.244 local terms energy: -247.662095 where: bonds (distance) C4'-P energy: -55.464 bonds (distance) P-C4' energy: -73.683 flat angles C4'-P-C4' energy: -51.182 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -24.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -438.066438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.066438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.066438 (E_RNA) where: Base-Base interactions energy: -228.730 where: short stacking energy: -119.283 Base-Backbone interact. energy: 0.049 local terms energy: -209.385221 where: bonds (distance) C4'-P energy: -54.370 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -60.536 flat angles P-C4'-P energy: -25.236 tors. eta vs tors. theta energy: -10.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -353.459275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.459275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.459275 (E_RNA) where: Base-Base interactions energy: -188.205 where: short stacking energy: -106.655 Base-Backbone interact. energy: -0.996 local terms energy: -164.258121 where: bonds (distance) C4'-P energy: -49.030 bonds (distance) P-C4' energy: -39.589 flat angles C4'-P-C4' energy: -49.813 flat angles P-C4'-P energy: -22.770 tors. eta vs tors. theta energy: -3.056 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: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -271.912928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.912928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.912928 (E_RNA) where: Base-Base interactions energy: -91.767 where: short stacking energy: -71.304 Base-Backbone interact. energy: 1.966 local terms energy: -182.111821 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -49.292 flat angles C4'-P-C4' energy: -47.874 flat angles P-C4'-P energy: -37.071 tors. eta vs tors. theta energy: 9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1118.264243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.264243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.264243 (E_RNA) where: Base-Base interactions energy: -766.094 where: short stacking energy: -326.535 Base-Backbone interact. energy: 0.381 local terms energy: -352.551596 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -67.706 flat angles P-C4'-P energy: -41.040 tors. eta vs tors. theta energy: -99.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1074.957109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.957109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.957109 (E_RNA) where: Base-Base interactions energy: -740.220 where: short stacking energy: -319.113 Base-Backbone interact. energy: -1.129 local terms energy: -333.607211 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -71.168 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -43.407 tors. eta vs tors. theta energy: -88.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -916.960947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.960947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.960947 (E_RNA) where: Base-Base interactions energy: -609.863 where: short stacking energy: -259.573 Base-Backbone interact. energy: -0.381 local terms energy: -306.717234 where: bonds (distance) C4'-P energy: -67.245 bonds (distance) P-C4' energy: -63.701 flat angles C4'-P-C4' energy: -60.114 flat angles P-C4'-P energy: -41.485 tors. eta vs tors. theta energy: -74.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -878.289564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.289564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.289564 (E_RNA) where: Base-Base interactions energy: -577.026 where: short stacking energy: -248.452 Base-Backbone interact. energy: -0.531 local terms energy: -300.732301 where: bonds (distance) C4'-P energy: -71.467 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -61.121 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: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -765.385786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.385786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.385786 (E_RNA) where: Base-Base interactions energy: -461.632 where: short stacking energy: -241.511 Base-Backbone interact. energy: 0.214 local terms energy: -303.967046 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -63.668 flat angles C4'-P-C4' energy: -60.309 flat angles P-C4'-P energy: -51.978 tors. eta vs tors. theta energy: -62.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -723.584639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.584639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.584639 (E_RNA) where: Base-Base interactions energy: -469.070 where: short stacking energy: -216.896 Base-Backbone interact. energy: -0.818 local terms energy: -253.696394 where: bonds (distance) C4'-P energy: -54.893 bonds (distance) P-C4' energy: -64.476 flat angles C4'-P-C4' energy: -59.540 flat angles P-C4'-P energy: -27.779 tors. eta vs tors. theta energy: -47.008 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: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -675.758689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.758689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.758689 (E_RNA) where: Base-Base interactions energy: -423.187 where: short stacking energy: -202.319 Base-Backbone interact. energy: -0.543 local terms energy: -252.028973 where: bonds (distance) C4'-P energy: -59.604 bonds (distance) P-C4' energy: -59.908 flat angles C4'-P-C4' energy: -54.523 flat angles P-C4'-P energy: -30.682 tors. eta vs tors. theta energy: -47.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -440.803139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.803139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.803139 (E_RNA) where: Base-Base interactions energy: -238.568 where: short stacking energy: -125.514 Base-Backbone interact. energy: 4.133 local terms energy: -206.368167 where: bonds (distance) C4'-P energy: -65.156 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -43.247 flat angles P-C4'-P energy: -23.255 tors. eta vs tors. theta energy: -9.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -374.704809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.704809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.704809 (E_RNA) where: Base-Base interactions energy: -179.431 where: short stacking energy: -101.194 Base-Backbone interact. energy: -4.513 local terms energy: -190.760547 where: bonds (distance) C4'-P energy: -45.616 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -296.152778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.152778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.152778 (E_RNA) where: Base-Base interactions energy: -115.696 where: short stacking energy: -91.773 Base-Backbone interact. energy: -2.964 local terms energy: -177.493174 where: bonds (distance) C4'-P energy: -53.806 bonds (distance) P-C4' energy: -57.688 flat angles C4'-P-C4' energy: -37.606 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: 3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1106.589377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.589377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.589377 (E_RNA) where: Base-Base interactions energy: -758.777 where: short stacking energy: -313.869 Base-Backbone interact. energy: 0.970 local terms energy: -348.782541 where: bonds (distance) C4'-P energy: -65.475 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -69.491 flat angles P-C4'-P energy: -53.593 tors. eta vs tors. theta energy: -95.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1025.995195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.995195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.995195 (E_RNA) where: Base-Base interactions energy: -692.684 where: short stacking energy: -314.089 Base-Backbone interact. energy: -1.159 local terms energy: -332.152694 where: bonds (distance) C4'-P energy: -51.634 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -91.571 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -924.419352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.419352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.419352 (E_RNA) where: Base-Base interactions energy: -603.637 where: short stacking energy: -249.328 Base-Backbone interact. energy: 0.829 local terms energy: -321.611644 where: bonds (distance) C4'-P energy: -72.132 bonds (distance) P-C4' energy: -58.277 flat angles C4'-P-C4' energy: -72.605 flat angles P-C4'-P energy: -49.686 tors. eta vs tors. theta energy: -68.912 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: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -873.777405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.777405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.777405 (E_RNA) where: Base-Base interactions energy: -579.992 where: short stacking energy: -248.783 Base-Backbone interact. energy: -1.478 local terms energy: -292.307920 where: bonds (distance) C4'-P energy: -51.892 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -43.473 tors. eta vs tors. theta energy: -57.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -793.676352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.676352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.676352 (E_RNA) where: Base-Base interactions energy: -531.791 where: short stacking energy: -239.539 Base-Backbone interact. energy: -1.889 local terms energy: -259.996328 where: bonds (distance) C4'-P energy: -48.412 bonds (distance) P-C4' energy: -56.034 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -57.461 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -727.305213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.305213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.305213 (E_RNA) where: Base-Base interactions energy: -438.313 where: short stacking energy: -232.445 Base-Backbone interact. energy: -0.570 local terms energy: -288.421874 where: bonds (distance) C4'-P energy: -61.257 bonds (distance) P-C4' energy: -59.606 flat angles C4'-P-C4' energy: -65.793 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -59.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -671.470258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.470258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.470258 (E_RNA) where: Base-Base interactions energy: -414.122 where: short stacking energy: -182.447 Base-Backbone interact. energy: -1.015 local terms energy: -256.333006 where: bonds (distance) C4'-P energy: -58.266 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -41.207 tors. eta vs tors. theta energy: -36.005 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: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -466.700841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.700841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.700841 (E_RNA) where: Base-Base interactions energy: -246.527 where: short stacking energy: -135.956 Base-Backbone interact. energy: -1.892 local terms energy: -218.282626 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -60.324 flat angles C4'-P-C4' energy: -43.106 flat angles P-C4'-P energy: -38.915 tors. eta vs tors. theta energy: -15.293 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: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -415.064599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.064599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.064599 (E_RNA) where: Base-Base interactions energy: -222.225 where: short stacking energy: -114.717 Base-Backbone interact. energy: 3.972 local terms energy: -196.811646 where: bonds (distance) C4'-P energy: -56.580 bonds (distance) P-C4' energy: -55.610 flat angles C4'-P-C4' energy: -51.284 flat angles P-C4'-P energy: -25.686 tors. eta vs tors. theta energy: -7.652 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: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -308.801605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.801605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.801605 (E_RNA) where: Base-Base interactions energy: -161.817 where: short stacking energy: -88.707 Base-Backbone interact. energy: 0.285 local terms energy: -147.269005 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -49.333 flat angles C4'-P-C4' energy: -44.705 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: 2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1110.967480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.967480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.967480 (E_RNA) where: Base-Base interactions energy: -769.364 where: short stacking energy: -306.876 Base-Backbone interact. energy: -0.973 local terms energy: -340.630787 where: bonds (distance) C4'-P energy: -63.865 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -75.336 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -98.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1018.332618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.332618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.332618 (E_RNA) where: Base-Base interactions energy: -707.139 where: short stacking energy: -288.744 Base-Backbone interact. energy: -0.112 local terms energy: -311.082238 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -55.463 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -80.147 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: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -960.896829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.896829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.896829 (E_RNA) where: Base-Base interactions energy: -635.382 where: short stacking energy: -273.054 Base-Backbone interact. energy: -1.385 local terms energy: -324.129835 where: bonds (distance) C4'-P energy: -67.773 bonds (distance) P-C4' energy: -72.578 flat angles C4'-P-C4' energy: -68.118 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -72.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -900.139017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.139017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.139017 (E_RNA) where: Base-Base interactions energy: -600.387 where: short stacking energy: -259.695 Base-Backbone interact. energy: -3.879 local terms energy: -295.873421 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -66.281 flat angles P-C4'-P energy: -41.709 tors. eta vs tors. theta energy: -67.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -861.505700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.505700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.505700 (E_RNA) where: Base-Base interactions energy: -558.369 where: short stacking energy: -252.803 Base-Backbone interact. energy: -4.252 local terms energy: -298.884146 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -54.132 flat angles C4'-P-C4' energy: -73.704 flat angles P-C4'-P energy: -36.791 tors. eta vs tors. theta energy: -71.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -679.192915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.192915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.192915 (E_RNA) where: Base-Base interactions energy: -417.721 where: short stacking energy: -211.641 Base-Backbone interact. energy: 2.339 local terms energy: -263.810412 where: bonds (distance) C4'-P energy: -54.139 bonds (distance) P-C4' energy: -54.379 flat angles C4'-P-C4' energy: -66.767 flat angles P-C4'-P energy: -35.398 tors. eta vs tors. theta energy: -53.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -703.700823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.700823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.700823 (E_RNA) where: Base-Base interactions energy: -446.970 where: short stacking energy: -194.071 Base-Backbone interact. energy: -0.484 local terms energy: -256.247116 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -66.709 flat angles C4'-P-C4' energy: -61.734 flat angles P-C4'-P energy: -28.041 tors. eta vs tors. theta energy: -33.284 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: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -420.605297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.605297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.605297 (E_RNA) where: Base-Base interactions energy: -196.008 where: short stacking energy: -114.582 Base-Backbone interact. energy: 1.740 local terms energy: -226.337668 where: bonds (distance) C4'-P energy: -57.432 bonds (distance) P-C4' energy: -60.713 flat angles C4'-P-C4' energy: -58.821 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -11.148 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: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -433.593423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.593423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.593423 (E_RNA) where: Base-Base interactions energy: -214.984 where: short stacking energy: -114.835 Base-Backbone interact. energy: -1.324 local terms energy: -217.285539 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -54.641 flat angles C4'-P-C4' energy: -55.110 flat angles P-C4'-P energy: -31.412 tors. eta vs tors. theta energy: -17.397 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: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -289.334359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.334359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.334359 (E_RNA) where: Base-Base interactions energy: -106.680 where: short stacking energy: -72.441 Base-Backbone interact. energy: 3.426 local terms energy: -186.080391 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -50.751 flat angles C4'-P-C4' energy: -53.208 flat angles P-C4'-P energy: -32.889 tors. eta vs tors. theta energy: 9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1118.586247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.586247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.586247 (E_RNA) where: Base-Base interactions energy: -764.230 where: short stacking energy: -318.028 Base-Backbone interact. energy: -3.041 local terms energy: -351.315433 where: bonds (distance) C4'-P energy: -61.518 bonds (distance) P-C4' energy: -73.143 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -96.222 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: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1029.057123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.057123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.057123 (E_RNA) where: Base-Base interactions energy: -718.221 where: short stacking energy: -309.745 Base-Backbone interact. energy: -1.656 local terms energy: -309.179667 where: bonds (distance) C4'-P energy: -68.100 bonds (distance) P-C4' energy: -53.410 flat angles C4'-P-C4' energy: -66.687 flat angles P-C4'-P energy: -36.777 tors. eta vs tors. theta energy: -84.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -948.347620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.347620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.347620 (E_RNA) where: Base-Base interactions energy: -636.216 where: short stacking energy: -261.623 Base-Backbone interact. energy: 2.095 local terms energy: -314.226401 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -54.643 flat angles C4'-P-C4' energy: -75.992 flat angles P-C4'-P energy: -50.501 tors. eta vs tors. theta energy: -68.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -944.847210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.847210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.847210 (E_RNA) where: Base-Base interactions energy: -656.732 where: short stacking energy: -265.685 Base-Backbone interact. energy: -2.432 local terms energy: -285.683490 where: bonds (distance) C4'-P energy: -58.397 bonds (distance) P-C4' energy: -62.841 flat angles C4'-P-C4' energy: -68.621 flat angles P-C4'-P energy: -34.607 tors. eta vs tors. theta energy: -61.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -842.696533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.696533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.696533 (E_RNA) where: Base-Base interactions energy: -556.561 where: short stacking energy: -236.468 Base-Backbone interact. energy: -1.071 local terms energy: -285.065017 where: bonds (distance) C4'-P energy: -61.491 bonds (distance) P-C4' energy: -56.175 flat angles C4'-P-C4' energy: -66.129 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -65.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -679.487140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.487140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.487140 (E_RNA) where: Base-Base interactions energy: -406.286 where: short stacking energy: -200.586 Base-Backbone interact. energy: 1.754 local terms energy: -274.955174 where: bonds (distance) C4'-P energy: -70.490 bonds (distance) P-C4' energy: -52.950 flat angles C4'-P-C4' energy: -63.710 flat angles P-C4'-P energy: -31.391 tors. eta vs tors. theta energy: -56.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -685.039316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.039316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.039316 (E_RNA) where: Base-Base interactions energy: -418.660 where: short stacking energy: -201.572 Base-Backbone interact. energy: -0.511 local terms energy: -265.868748 where: bonds (distance) C4'-P energy: -60.718 bonds (distance) P-C4' energy: -65.760 flat angles C4'-P-C4' energy: -59.943 flat angles P-C4'-P energy: -30.767 tors. eta vs tors. theta energy: -48.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -437.660460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.660460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.660460 (E_RNA) where: Base-Base interactions energy: -233.513 where: short stacking energy: -109.235 Base-Backbone interact. energy: -1.858 local terms energy: -202.289565 where: bonds (distance) C4'-P energy: -56.331 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -43.404 flat angles P-C4'-P energy: -36.273 tors. eta vs tors. theta energy: -9.034 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -443.738942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.738942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.738942 (E_RNA) where: Base-Base interactions energy: -237.287 where: short stacking energy: -121.390 Base-Backbone interact. energy: -0.975 local terms energy: -205.476876 where: bonds (distance) C4'-P energy: -61.096 bonds (distance) P-C4' energy: -54.193 flat angles C4'-P-C4' energy: -40.272 flat angles P-C4'-P energy: -39.218 tors. eta vs tors. theta energy: -10.698 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: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -262.347717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.347717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.347717 (E_RNA) where: Base-Base interactions energy: -70.893 where: short stacking energy: -69.107 Base-Backbone interact. energy: -0.253 local terms energy: -191.201393 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -47.432 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: 6.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1120.665215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.665215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.665215 (E_RNA) where: Base-Base interactions energy: -759.883 where: short stacking energy: -329.138 Base-Backbone interact. energy: -0.858 local terms energy: -359.924067 where: bonds (distance) C4'-P energy: -70.577 bonds (distance) P-C4' energy: -74.126 flat angles C4'-P-C4' energy: -67.893 flat angles P-C4'-P energy: -48.755 tors. eta vs tors. theta energy: -98.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1045.994658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.994658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.994658 (E_RNA) where: Base-Base interactions energy: -725.081 where: short stacking energy: -299.543 Base-Backbone interact. energy: -1.806 local terms energy: -319.107455 where: bonds (distance) C4'-P energy: -66.589 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -70.638 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -78.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -968.782053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.782053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.782053 (E_RNA) where: Base-Base interactions energy: -659.576 where: short stacking energy: -284.024 Base-Backbone interact. energy: -2.351 local terms energy: -306.854960 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -68.509 flat angles P-C4'-P energy: -40.961 tors. eta vs tors. theta energy: -74.179 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: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -928.337818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.337818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.337818 (E_RNA) where: Base-Base interactions energy: -626.439 where: short stacking energy: -271.891 Base-Backbone interact. energy: -4.290 local terms energy: -297.608459 where: bonds (distance) C4'-P energy: -56.682 bonds (distance) P-C4' energy: -57.848 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -72.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -820.130096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.130096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.130096 (E_RNA) where: Base-Base interactions energy: -533.890 where: short stacking energy: -236.002 Base-Backbone interact. energy: -0.716 local terms energy: -285.523750 where: bonds (distance) C4'-P energy: -66.015 bonds (distance) P-C4' energy: -59.537 flat angles C4'-P-C4' energy: -57.644 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -59.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -696.841343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.841343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.841343 (E_RNA) where: Base-Base interactions energy: -423.026 where: short stacking energy: -221.490 Base-Backbone interact. energy: 0.295 local terms energy: -274.110759 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -54.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -718.558596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.558596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.558596 (E_RNA) where: Base-Base interactions energy: -456.021 where: short stacking energy: -196.275 Base-Backbone interact. energy: -0.447 local terms energy: -262.090474 where: bonds (distance) C4'-P energy: -54.738 bonds (distance) P-C4' energy: -58.120 flat angles C4'-P-C4' energy: -59.323 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -51.757 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: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -448.953022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.953022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.953022 (E_RNA) where: Base-Base interactions energy: -237.245 where: short stacking energy: -139.137 Base-Backbone interact. energy: 1.021 local terms energy: -212.728760 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -57.737 flat angles P-C4'-P energy: -29.215 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -400.151635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.151635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.151635 (E_RNA) where: Base-Base interactions energy: -194.278 where: short stacking energy: -111.780 Base-Backbone interact. energy: -0.577 local terms energy: -205.296611 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -49.742 flat angles C4'-P-C4' energy: -46.833 flat angles P-C4'-P energy: -33.627 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -273.900426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.900426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.900426 (E_RNA) where: Base-Base interactions energy: -99.266 where: short stacking energy: -94.615 Base-Backbone interact. energy: 5.988 local terms energy: -180.623058 where: bonds (distance) C4'-P energy: -61.919 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -28.786 flat angles P-C4'-P energy: -31.929 tors. eta vs tors. theta energy: -2.783 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1113.716328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.716328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.716328 (E_RNA) where: Base-Base interactions energy: -746.427 where: short stacking energy: -290.760 Base-Backbone interact. energy: -0.977 local terms energy: -366.312059 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -71.862 flat angles C4'-P-C4' energy: -75.411 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -89.953 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: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1041.927223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.927223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.927223 (E_RNA) where: Base-Base interactions energy: -712.663 where: short stacking energy: -276.244 Base-Backbone interact. energy: -1.043 local terms energy: -328.221503 where: bonds (distance) C4'-P energy: -66.444 bonds (distance) P-C4' energy: -64.298 flat angles C4'-P-C4' energy: -72.090 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: -82.122 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: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -966.926485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.926485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.926485 (E_RNA) where: Base-Base interactions energy: -644.964 where: short stacking energy: -280.939 Base-Backbone interact. energy: -1.487 local terms energy: -320.475156 where: bonds (distance) C4'-P energy: -63.605 bonds (distance) P-C4' energy: -61.066 flat angles C4'-P-C4' energy: -76.053 flat angles P-C4'-P energy: -47.096 tors. eta vs tors. theta energy: -72.655 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: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -929.464429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.464429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.464429 (E_RNA) where: Base-Base interactions energy: -628.246 where: short stacking energy: -260.988 Base-Backbone interact. energy: -0.571 local terms energy: -300.648112 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -66.426 flat angles C4'-P-C4' energy: -59.391 flat angles P-C4'-P energy: -39.620 tors. eta vs tors. theta energy: -72.958 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: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -786.927195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.927195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.927195 (E_RNA) where: Base-Base interactions energy: -527.438 where: short stacking energy: -211.773 Base-Backbone interact. energy: 4.006 local terms energy: -263.495671 where: bonds (distance) C4'-P energy: -53.302 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -65.472 flat angles P-C4'-P energy: -35.092 tors. eta vs tors. theta energy: -50.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -658.971377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.971377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.971377 (E_RNA) where: Base-Base interactions energy: -397.952 where: short stacking energy: -192.220 Base-Backbone interact. energy: 0.717 local terms energy: -261.736358 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -62.515 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -31.476 tors. eta vs tors. theta energy: -39.163 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: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -755.266265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.266265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.266265 (E_RNA) where: Base-Base interactions energy: -494.849 where: short stacking energy: -203.383 Base-Backbone interact. energy: -1.078 local terms energy: -259.339217 where: bonds (distance) C4'-P energy: -55.249 bonds (distance) P-C4' energy: -61.501 flat angles C4'-P-C4' energy: -66.664 flat angles P-C4'-P energy: -31.651 tors. eta vs tors. theta energy: -44.275 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: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -464.670012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.670012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.670012 (E_RNA) where: Base-Base interactions energy: -237.193 where: short stacking energy: -127.177 Base-Backbone interact. energy: -2.222 local terms energy: -225.255096 where: bonds (distance) C4'-P energy: -63.215 bonds (distance) P-C4' energy: -56.667 flat angles C4'-P-C4' energy: -56.191 flat angles P-C4'-P energy: -29.147 tors. eta vs tors. theta energy: -20.036 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: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -370.079017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.079017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.079017 (E_RNA) where: Base-Base interactions energy: -197.238 where: short stacking energy: -100.475 Base-Backbone interact. energy: 6.557 local terms energy: -179.398076 where: bonds (distance) C4'-P energy: -45.624 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -47.508 flat angles P-C4'-P energy: -25.919 tors. eta vs tors. theta energy: -0.625 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: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -278.870523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.870523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.870523 (E_RNA) where: Base-Base interactions energy: -121.297 where: short stacking energy: -86.709 Base-Backbone interact. energy: 0.128 local terms energy: -157.700760 where: bonds (distance) C4'-P energy: -44.884 bonds (distance) P-C4' energy: -61.458 flat angles C4'-P-C4' energy: -30.794 flat angles P-C4'-P energy: -28.490 tors. eta vs tors. theta energy: 7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1139.833246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.833246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.833246 (E_RNA) where: Base-Base interactions energy: -802.064 where: short stacking energy: -319.086 Base-Backbone interact. energy: -0.332 local terms energy: -337.437004 where: bonds (distance) C4'-P energy: -66.823 bonds (distance) P-C4' energy: -60.381 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -93.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1041.002860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.002860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.002860 (E_RNA) where: Base-Base interactions energy: -701.512 where: short stacking energy: -313.786 Base-Backbone interact. energy: -0.770 local terms energy: -338.720765 where: bonds (distance) C4'-P energy: -72.659 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -82.464 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: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -969.585152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.585152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.585152 (E_RNA) where: Base-Base interactions energy: -658.992 where: short stacking energy: -269.825 Base-Backbone interact. energy: -1.058 local terms energy: -309.535108 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -67.537 flat angles P-C4'-P energy: -44.023 tors. eta vs tors. theta energy: -73.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -935.032047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.032047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.032047 (E_RNA) where: Base-Base interactions energy: -624.932 where: short stacking energy: -246.585 Base-Backbone interact. energy: -4.220 local terms energy: -305.879799 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -66.578 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -73.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -793.683653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.683653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.683653 (E_RNA) where: Base-Base interactions energy: -536.095 where: short stacking energy: -245.728 Base-Backbone interact. energy: -0.058 local terms energy: -257.530156 where: bonds (distance) C4'-P energy: -48.069 bonds (distance) P-C4' energy: -44.535 flat angles C4'-P-C4' energy: -67.601 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -59.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -820.250856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.250856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.250856 (E_RNA) where: Base-Base interactions energy: -548.386 where: short stacking energy: -235.852 Base-Backbone interact. energy: -0.268 local terms energy: -271.596965 where: bonds (distance) C4'-P energy: -47.919 bonds (distance) P-C4' energy: -59.756 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -56.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -624.411324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.411324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.411324 (E_RNA) where: Base-Base interactions energy: -372.715 where: short stacking energy: -180.355 Base-Backbone interact. energy: -1.458 local terms energy: -250.238790 where: bonds (distance) C4'-P energy: -28.489 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -65.488 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -44.518 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -439.169967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.169967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.169967 (E_RNA) where: Base-Base interactions energy: -236.092 where: short stacking energy: -125.549 Base-Backbone interact. energy: -1.704 local terms energy: -201.373847 where: bonds (distance) C4'-P energy: -55.160 bonds (distance) P-C4' energy: -58.332 flat angles C4'-P-C4' energy: -52.286 flat angles P-C4'-P energy: -32.338 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -408.912824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.912824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.912824 (E_RNA) where: Base-Base interactions energy: -194.737 where: short stacking energy: -130.048 Base-Backbone interact. energy: 5.516 local terms energy: -219.691534 where: bonds (distance) C4'-P energy: -56.103 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -48.219 flat angles P-C4'-P energy: -42.666 tors. eta vs tors. theta energy: -10.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -282.450213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.450213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.450213 (E_RNA) where: Base-Base interactions energy: -130.277 where: short stacking energy: -80.410 Base-Backbone interact. energy: -1.615 local terms energy: -150.558409 where: bonds (distance) C4'-P energy: -56.823 bonds (distance) P-C4' energy: -50.899 flat angles C4'-P-C4' energy: -34.606 flat angles P-C4'-P energy: -26.704 tors. eta vs tors. theta energy: 18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1126.479861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.479861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.479861 (E_RNA) where: Base-Base interactions energy: -768.490 where: short stacking energy: -293.626 Base-Backbone interact. energy: -1.359 local terms energy: -356.631095 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -78.526 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -54.365 tors. eta vs tors. theta energy: -85.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1069.923495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.923495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.923495 (E_RNA) where: Base-Base interactions energy: -718.729 where: short stacking energy: -316.740 Base-Backbone interact. energy: -0.115 local terms energy: -351.079415 where: bonds (distance) C4'-P energy: -66.911 bonds (distance) P-C4' energy: -71.698 flat angles C4'-P-C4' energy: -67.214 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: -90.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -968.077591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.077591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.077591 (E_RNA) where: Base-Base interactions energy: -651.770 where: short stacking energy: -293.331 Base-Backbone interact. energy: -2.080 local terms energy: -314.228064 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -73.212 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -78.596 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: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -944.638090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.638090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.638090 (E_RNA) where: Base-Base interactions energy: -634.651 where: short stacking energy: -262.198 Base-Backbone interact. energy: -2.426 local terms energy: -307.560780 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -63.239 flat angles C4'-P-C4' energy: -70.603 flat angles P-C4'-P energy: -38.153 tors. eta vs tors. theta energy: -75.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -889.058908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.058908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.058908 (E_RNA) where: Base-Base interactions energy: -595.529 where: short stacking energy: -241.980 Base-Backbone interact. energy: 1.331 local terms energy: -294.861185 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -70.096 flat angles C4'-P-C4' energy: -63.867 flat angles P-C4'-P energy: -35.122 tors. eta vs tors. theta energy: -66.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -733.340534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.340534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.340534 (E_RNA) where: Base-Base interactions energy: -459.287 where: short stacking energy: -197.323 Base-Backbone interact. energy: -0.937 local terms energy: -273.117152 where: bonds (distance) C4'-P energy: -52.815 bonds (distance) P-C4' energy: -65.106 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -43.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -659.529560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.529560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.529560 (E_RNA) where: Base-Base interactions energy: -399.478 where: short stacking energy: -210.525 Base-Backbone interact. energy: -1.076 local terms energy: -258.975315 where: bonds (distance) C4'-P energy: -59.179 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -51.060 flat angles P-C4'-P energy: -27.621 tors. eta vs tors. theta energy: -67.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -505.808687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.808687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.808687 (E_RNA) where: Base-Base interactions energy: -291.864 where: short stacking energy: -149.551 Base-Backbone interact. energy: -0.999 local terms energy: -212.945407 where: bonds (distance) C4'-P energy: -53.783 bonds (distance) P-C4' energy: -53.454 flat angles C4'-P-C4' energy: -55.495 flat angles P-C4'-P energy: -18.602 tors. eta vs tors. theta energy: -31.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -408.120225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.120225 (E_RNA) where: Base-Base interactions energy: -210.034 where: short stacking energy: -117.875 Base-Backbone interact. energy: -1.478 local terms energy: -196.607662 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -40.226 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -9.289 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: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -306.837789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.837789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.837789 (E_RNA) where: Base-Base interactions energy: -126.341 where: short stacking energy: -83.053 Base-Backbone interact. energy: 0.646 local terms energy: -181.143235 where: bonds (distance) C4'-P energy: -42.980 bonds (distance) P-C4' energy: -64.095 flat angles C4'-P-C4' energy: -44.245 flat angles P-C4'-P energy: -32.671 tors. eta vs tors. theta energy: 2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1136.920691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.920691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.920691 (E_RNA) where: Base-Base interactions energy: -794.276 where: short stacking energy: -314.632 Base-Backbone interact. energy: -2.586 local terms energy: -340.058396 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -91.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1031.233914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.233914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.233914 (E_RNA) where: Base-Base interactions energy: -704.166 where: short stacking energy: -306.023 Base-Backbone interact. energy: -1.354 local terms energy: -325.713848 where: bonds (distance) C4'-P energy: -54.270 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -83.895 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -979.803535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.803535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.803535 (E_RNA) where: Base-Base interactions energy: -669.760 where: short stacking energy: -273.447 Base-Backbone interact. energy: -2.651 local terms energy: -307.392442 where: bonds (distance) C4'-P energy: -66.038 bonds (distance) P-C4' energy: -61.718 flat angles C4'-P-C4' energy: -65.738 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -71.490 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: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -939.169272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.169272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.169272 (E_RNA) where: Base-Base interactions energy: -634.486 where: short stacking energy: -263.863 Base-Backbone interact. energy: 0.651 local terms energy: -305.334511 where: bonds (distance) C4'-P energy: -66.824 bonds (distance) P-C4' energy: -61.915 flat angles C4'-P-C4' energy: -72.208 flat angles P-C4'-P energy: -34.559 tors. eta vs tors. theta energy: -69.828 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: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -923.016130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.016130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.016130 (E_RNA) where: Base-Base interactions energy: -633.140 where: short stacking energy: -247.465 Base-Backbone interact. energy: 1.221 local terms energy: -291.097193 where: bonds (distance) C4'-P energy: -48.454 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -64.211 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: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -706.783180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.783180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.783180 (E_RNA) where: Base-Base interactions energy: -448.061 where: short stacking energy: -210.537 Base-Backbone interact. energy: -0.970 local terms energy: -257.752768 where: bonds (distance) C4'-P energy: -52.395 bonds (distance) P-C4' energy: -54.504 flat angles C4'-P-C4' energy: -56.401 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -54.512 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: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -698.546546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.546546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.546546 (E_RNA) where: Base-Base interactions energy: -466.616 where: short stacking energy: -201.505 Base-Backbone interact. energy: 3.993 local terms energy: -235.923497 where: bonds (distance) C4'-P energy: -58.615 bonds (distance) P-C4' energy: -44.255 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -32.088 tors. eta vs tors. theta energy: -34.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -451.473898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.473898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.473898 (E_RNA) where: Base-Base interactions energy: -221.675 where: short stacking energy: -120.776 Base-Backbone interact. energy: 2.216 local terms energy: -232.014960 where: bonds (distance) C4'-P energy: -57.129 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -69.116 flat angles P-C4'-P energy: -27.151 tors. eta vs tors. theta energy: -20.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -408.507242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.507242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.507242 (E_RNA) where: Base-Base interactions energy: -206.051 where: short stacking energy: -126.810 Base-Backbone interact. energy: 1.816 local terms energy: -204.272075 where: bonds (distance) C4'-P energy: -57.654 bonds (distance) P-C4' energy: -58.096 flat angles C4'-P-C4' energy: -48.037 flat angles P-C4'-P energy: -30.739 tors. eta vs tors. theta energy: -9.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -279.704931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.704931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.704931 (E_RNA) where: Base-Base interactions energy: -114.124 where: short stacking energy: -69.649 Base-Backbone interact. energy: -2.042 local terms energy: -163.539011 where: bonds (distance) C4'-P energy: -44.602 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -40.772 flat angles P-C4'-P energy: -26.463 tors. eta vs tors. theta energy: 5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1159.577153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.577153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.577153 (E_RNA) where: Base-Base interactions energy: -807.045 where: short stacking energy: -309.735 Base-Backbone interact. energy: -0.310 local terms energy: -352.222286 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -64.812 flat angles C4'-P-C4' energy: -76.014 flat angles P-C4'-P energy: -48.587 tors. eta vs tors. theta energy: -92.376 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: 42 Temperature: 0.950000 Total energy: -1014.051019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.051019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.051019 (E_RNA) where: Base-Base interactions energy: -705.346 where: short stacking energy: -289.554 Base-Backbone interact. energy: -1.829 local terms energy: -306.875857 where: bonds (distance) C4'-P energy: -64.001 bonds (distance) P-C4' energy: -64.769 flat angles C4'-P-C4' energy: -67.048 flat angles P-C4'-P energy: -35.000 tors. eta vs tors. theta energy: -76.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -953.869065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.869065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.869065 (E_RNA) where: Base-Base interactions energy: -639.525 where: short stacking energy: -249.972 Base-Backbone interact. energy: -0.843 local terms energy: -313.500382 where: bonds (distance) C4'-P energy: -62.875 bonds (distance) P-C4' energy: -69.308 flat angles C4'-P-C4' energy: -77.485 flat angles P-C4'-P energy: -41.839 tors. eta vs tors. theta energy: -61.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -936.224244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.224244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.224244 (E_RNA) where: Base-Base interactions energy: -646.965 where: short stacking energy: -278.342 Base-Backbone interact. energy: -0.580 local terms energy: -288.678779 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -55.978 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -31.572 tors. eta vs tors. theta energy: -72.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -929.550858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.550858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.550858 (E_RNA) where: Base-Base interactions energy: -631.695 where: short stacking energy: -258.168 Base-Backbone interact. energy: 1.710 local terms energy: -299.565252 where: bonds (distance) C4'-P energy: -64.812 bonds (distance) P-C4' energy: -54.290 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -71.479 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -707.639122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.639122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.639122 (E_RNA) where: Base-Base interactions energy: -451.193 where: short stacking energy: -200.243 Base-Backbone interact. energy: -0.892 local terms energy: -255.554063 where: bonds (distance) C4'-P energy: -49.545 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -58.120 flat angles P-C4'-P energy: -30.768 tors. eta vs tors. theta energy: -56.644 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: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -655.030817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.030817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.030817 (E_RNA) where: Base-Base interactions energy: -408.155 where: short stacking energy: -174.633 Base-Backbone interact. energy: -1.998 local terms energy: -244.877507 where: bonds (distance) C4'-P energy: -53.215 bonds (distance) P-C4' energy: -60.075 flat angles C4'-P-C4' energy: -49.133 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -39.136 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: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -458.800488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.800488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.800488 (E_RNA) where: Base-Base interactions energy: -261.208 where: short stacking energy: -116.752 Base-Backbone interact. energy: -1.240 local terms energy: -196.352182 where: bonds (distance) C4'-P energy: -43.063 bonds (distance) P-C4' energy: -58.895 flat angles C4'-P-C4' energy: -52.891 flat angles P-C4'-P energy: -34.996 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -396.032270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.032270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.032270 (E_RNA) where: Base-Base interactions energy: -203.212 where: short stacking energy: -127.476 Base-Backbone interact. energy: 3.979 local terms energy: -196.799784 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -50.406 flat angles C4'-P-C4' energy: -50.575 flat angles P-C4'-P energy: -25.832 tors. eta vs tors. theta energy: -11.227 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: 1 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -283.456608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.456608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.456608 (E_RNA) where: Base-Base interactions energy: -116.322 where: short stacking energy: -96.232 Base-Backbone interact. energy: 0.959 local terms energy: -168.093820 where: bonds (distance) C4'-P energy: -57.702 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -40.963 flat angles P-C4'-P energy: -17.533 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1136.175615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.175615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.175615 (E_RNA) where: Base-Base interactions energy: -777.561 where: short stacking energy: -310.737 Base-Backbone interact. energy: -2.565 local terms energy: -356.048817 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -81.052 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -88.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1006.827095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.827095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.827095 (E_RNA) where: Base-Base interactions energy: -683.134 where: short stacking energy: -255.053 Base-Backbone interact. energy: -4.071 local terms energy: -319.622229 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -62.396 flat angles C4'-P-C4' energy: -75.273 flat angles P-C4'-P energy: -39.749 tors. eta vs tors. theta energy: -74.924 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: 43 Temperature: 1.000000 Total energy: -979.046049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.046049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.046049 (E_RNA) where: Base-Base interactions energy: -675.847 where: short stacking energy: -274.795 Base-Backbone interact. energy: 1.983 local terms energy: -305.182144 where: bonds (distance) C4'-P energy: -62.310 bonds (distance) P-C4' energy: -62.186 flat angles C4'-P-C4' energy: -65.984 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -70.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -942.831835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.831835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.831835 (E_RNA) where: Base-Base interactions energy: -649.192 where: short stacking energy: -272.078 Base-Backbone interact. energy: 1.356 local terms energy: -294.995507 where: bonds (distance) C4'-P energy: -55.471 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -55.356 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: -70.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -875.975816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.975816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.975816 (E_RNA) where: Base-Base interactions energy: -580.871 where: short stacking energy: -246.425 Base-Backbone interact. energy: -2.369 local terms energy: -292.735370 where: bonds (distance) C4'-P energy: -70.555 bonds (distance) P-C4' energy: -55.438 flat angles C4'-P-C4' energy: -75.621 flat angles P-C4'-P energy: -33.410 tors. eta vs tors. theta energy: -57.711 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: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -734.327900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.327900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.327900 (E_RNA) where: Base-Base interactions energy: -446.521 where: short stacking energy: -227.665 Base-Backbone interact. energy: 0.042 local terms energy: -287.849737 where: bonds (distance) C4'-P energy: -51.851 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -67.275 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -62.115 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: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -642.278194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.278194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.278194 (E_RNA) where: Base-Base interactions energy: -404.489 where: short stacking energy: -188.331 Base-Backbone interact. energy: -1.860 local terms energy: -235.928571 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -53.462 flat angles C4'-P-C4' energy: -55.295 flat angles P-C4'-P energy: -37.620 tors. eta vs tors. theta energy: -32.549 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: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -418.997198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.997198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.997198 (E_RNA) where: Base-Base interactions energy: -211.977 where: short stacking energy: -118.050 Base-Backbone interact. energy: -2.329 local terms energy: -204.690652 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -48.529 flat angles C4'-P-C4' energy: -43.596 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -10.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -377.671754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.671754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.671754 (E_RNA) where: Base-Base interactions energy: -173.402 where: short stacking energy: -117.187 Base-Backbone interact. energy: 2.169 local terms energy: -206.438351 where: bonds (distance) C4'-P energy: -54.607 bonds (distance) P-C4' energy: -50.807 flat angles C4'-P-C4' energy: -58.851 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -286.765184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.765184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.765184 (E_RNA) where: Base-Base interactions energy: -120.837 where: short stacking energy: -94.521 Base-Backbone interact. energy: 1.027 local terms energy: -166.955049 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -58.804 flat angles C4'-P-C4' energy: -47.535 flat angles P-C4'-P energy: -15.089 tors. eta vs tors. theta energy: 6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1130.060171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.060171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.060171 (E_RNA) where: Base-Base interactions energy: -788.541 where: short stacking energy: -304.791 Base-Backbone interact. energy: -1.386 local terms energy: -340.133722 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -87.583 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: 3 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1004.591699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.591699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.591699 (E_RNA) where: Base-Base interactions energy: -672.388 where: short stacking energy: -276.651 Base-Backbone interact. energy: -0.499 local terms energy: -331.704799 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -77.981 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -72.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1023.228186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.228186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.228186 (E_RNA) where: Base-Base interactions energy: -699.663 where: short stacking energy: -286.843 Base-Backbone interact. energy: -2.237 local terms energy: -321.328470 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -66.425 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -74.343 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: 9 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -924.174117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.174117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.174117 (E_RNA) where: Base-Base interactions energy: -624.730 where: short stacking energy: -257.451 Base-Backbone interact. energy: -0.793 local terms energy: -298.651570 where: bonds (distance) C4'-P energy: -60.419 bonds (distance) P-C4' energy: -55.434 flat angles C4'-P-C4' energy: -71.543 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -66.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -907.915780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.915780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.915780 (E_RNA) where: Base-Base interactions energy: -607.771 where: short stacking energy: -263.632 Base-Backbone interact. energy: -4.479 local terms energy: -295.665901 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -64.383 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -69.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -734.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.876321 (E_RNA) where: Base-Base interactions energy: -461.971 where: short stacking energy: -228.195 Base-Backbone interact. energy: -0.874 local terms energy: -272.031334 where: bonds (distance) C4'-P energy: -51.421 bonds (distance) P-C4' energy: -55.023 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -36.557 tors. eta vs tors. theta energy: -63.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -563.849821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.849821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.849821 (E_RNA) where: Base-Base interactions energy: -343.161 where: short stacking energy: -143.481 Base-Backbone interact. energy: -1.565 local terms energy: -219.123961 where: bonds (distance) C4'-P energy: -50.196 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -48.274 flat angles P-C4'-P energy: -33.811 tors. eta vs tors. theta energy: -24.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -440.117432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.117432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.117432 (E_RNA) where: Base-Base interactions energy: -215.194 where: short stacking energy: -139.673 Base-Backbone interact. energy: -1.842 local terms energy: -223.082027 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -54.770 flat angles C4'-P-C4' energy: -50.232 flat angles P-C4'-P energy: -32.356 tors. eta vs tors. theta energy: -19.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -371.572555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.572555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.572555 (E_RNA) where: Base-Base interactions energy: -188.090 where: short stacking energy: -94.853 Base-Backbone interact. energy: -2.646 local terms energy: -180.836875 where: bonds (distance) C4'-P energy: -50.270 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -38.694 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: 3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -294.647322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.647322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.647322 (E_RNA) where: Base-Base interactions energy: -111.623 where: short stacking energy: -73.429 Base-Backbone interact. energy: -3.433 local terms energy: -179.592046 where: bonds (distance) C4'-P energy: -55.440 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -47.620 flat angles P-C4'-P energy: -20.586 tors. eta vs tors. theta energy: 10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1117.541984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.541984 (E_RNA) where: Base-Base interactions energy: -774.361 where: short stacking energy: -316.296 Base-Backbone interact. energy: -0.157 local terms energy: -343.024805 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -63.005 flat angles C4'-P-C4' energy: -71.625 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -92.419 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: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -981.886342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.886342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.886342 (E_RNA) where: Base-Base interactions energy: -676.916 where: short stacking energy: -280.878 Base-Backbone interact. energy: -2.040 local terms energy: -302.930793 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -61.514 flat angles C4'-P-C4' energy: -75.215 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -63.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1016.978175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.978175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.978175 (E_RNA) where: Base-Base interactions energy: -700.002 where: short stacking energy: -285.813 Base-Backbone interact. energy: -2.310 local terms energy: -314.666456 where: bonds (distance) C4'-P energy: -60.734 bonds (distance) P-C4' energy: -59.784 flat angles C4'-P-C4' energy: -63.247 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: -80.635 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: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -932.027165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.027165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.027165 (E_RNA) where: Base-Base interactions energy: -607.964 where: short stacking energy: -255.854 Base-Backbone interact. energy: 0.530 local terms energy: -324.592446 where: bonds (distance) C4'-P energy: -61.553 bonds (distance) P-C4' energy: -61.666 flat angles C4'-P-C4' energy: -69.196 flat angles P-C4'-P energy: -54.526 tors. eta vs tors. theta energy: -77.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -885.382815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.382815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.382815 (E_RNA) where: Base-Base interactions energy: -591.350 where: short stacking energy: -258.395 Base-Backbone interact. energy: -1.877 local terms energy: -292.155628 where: bonds (distance) C4'-P energy: -50.275 bonds (distance) P-C4' energy: -68.086 flat angles C4'-P-C4' energy: -56.334 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -71.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -765.560429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.560429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.560429 (E_RNA) where: Base-Base interactions energy: -471.615 where: short stacking energy: -231.916 Base-Backbone interact. energy: -1.554 local terms energy: -292.391087 where: bonds (distance) C4'-P energy: -62.149 bonds (distance) P-C4' energy: -65.262 flat angles C4'-P-C4' energy: -60.282 flat angles P-C4'-P energy: -41.795 tors. eta vs tors. theta energy: -62.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -556.239443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.239443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.239443 (E_RNA) where: Base-Base interactions energy: -321.510 where: short stacking energy: -166.721 Base-Backbone interact. energy: -0.756 local terms energy: -233.973431 where: bonds (distance) C4'-P energy: -48.472 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -49.233 flat angles P-C4'-P energy: -40.608 tors. eta vs tors. theta energy: -33.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -384.312414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.312414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.312414 (E_RNA) where: Base-Base interactions energy: -178.281 where: short stacking energy: -122.975 Base-Backbone interact. energy: -0.393 local terms energy: -205.638232 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -52.865 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -27.630 tors. eta vs tors. theta energy: -14.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -414.249485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.249485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.249485 (E_RNA) where: Base-Base interactions energy: -223.775 where: short stacking energy: -124.595 Base-Backbone interact. energy: -0.888 local terms energy: -189.586472 where: bonds (distance) C4'-P energy: -55.848 bonds (distance) P-C4' energy: -50.366 flat angles C4'-P-C4' energy: -44.636 flat angles P-C4'-P energy: -25.054 tors. eta vs tors. theta energy: -13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -276.327192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.327192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.327192 (E_RNA) where: Base-Base interactions energy: -96.479 where: short stacking energy: -74.769 Base-Backbone interact. energy: -0.825 local terms energy: -179.023296 where: bonds (distance) C4'-P energy: -55.034 bonds (distance) P-C4' energy: -58.165 flat angles C4'-P-C4' energy: -44.809 flat angles P-C4'-P energy: -16.858 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1136.349130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.349130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.349130 (E_RNA) where: Base-Base interactions energy: -784.216 where: short stacking energy: -327.539 Base-Backbone interact. energy: -0.173 local terms energy: -351.960799 where: bonds (distance) C4'-P energy: -68.836 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -76.233 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -93.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1004.113084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.113084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.113084 (E_RNA) where: Base-Base interactions energy: -687.832 where: short stacking energy: -274.786 Base-Backbone interact. energy: -2.805 local terms energy: -313.476650 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -74.003 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: 46 Temperature: 1.000000 Total energy: -1037.542775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.542775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.542775 (E_RNA) where: Base-Base interactions energy: -712.190 where: short stacking energy: -300.202 Base-Backbone interact. energy: -0.138 local terms energy: -325.213976 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -71.511 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -84.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -918.873754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.873754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.873754 (E_RNA) where: Base-Base interactions energy: -632.384 where: short stacking energy: -284.336 Base-Backbone interact. energy: 1.718 local terms energy: -288.207164 where: bonds (distance) C4'-P energy: -49.852 bonds (distance) P-C4' energy: -62.837 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -39.499 tors. eta vs tors. theta energy: -67.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -896.841889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.841889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.841889 (E_RNA) where: Base-Base interactions energy: -607.410 where: short stacking energy: -248.716 Base-Backbone interact. energy: -1.907 local terms energy: -287.525145 where: bonds (distance) C4'-P energy: -63.883 bonds (distance) P-C4' energy: -48.901 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -62.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -792.103288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.103288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.103288 (E_RNA) where: Base-Base interactions energy: -504.532 where: short stacking energy: -253.937 Base-Backbone interact. energy: -0.844 local terms energy: -286.727399 where: bonds (distance) C4'-P energy: -49.634 bonds (distance) P-C4' energy: -48.829 flat angles C4'-P-C4' energy: -62.994 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: -76.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -433.975551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.975551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.975551 (E_RNA) where: Base-Base interactions energy: -215.542 where: short stacking energy: -138.697 Base-Backbone interact. energy: -0.315 local terms energy: -218.117976 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -38.980 flat angles P-C4'-P energy: -29.892 tors. eta vs tors. theta energy: -28.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -495.131304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.131304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.131304 (E_RNA) where: Base-Base interactions energy: -284.540 where: short stacking energy: -159.857 Base-Backbone interact. energy: -1.130 local terms energy: -209.461347 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -49.067 flat angles C4'-P-C4' energy: -56.076 flat angles P-C4'-P energy: -24.575 tors. eta vs tors. theta energy: -20.221 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: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -404.074291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.074291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.074291 (E_RNA) where: Base-Base interactions energy: -215.435 where: short stacking energy: -136.278 Base-Backbone interact. energy: -2.243 local terms energy: -186.396324 where: bonds (distance) C4'-P energy: -45.986 bonds (distance) P-C4' energy: -53.264 flat angles C4'-P-C4' energy: -51.340 flat angles P-C4'-P energy: -22.279 tors. eta vs tors. theta energy: -13.526 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -271.350597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.350597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.350597 (E_RNA) where: Base-Base interactions energy: -87.514 where: short stacking energy: -72.717 Base-Backbone interact. energy: 5.705 local terms energy: -189.540877 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -61.010 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -27.236 tors. eta vs tors. theta energy: 8.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1138.396784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.396784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.396784 (E_RNA) where: Base-Base interactions energy: -782.337 where: short stacking energy: -320.108 Base-Backbone interact. energy: -1.190 local terms energy: -354.869392 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -75.077 flat angles C4'-P-C4' energy: -73.456 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -95.015 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: 47 Temperature: 0.950000 Total energy: -1059.549832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.549832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.549832 (E_RNA) where: Base-Base interactions energy: -730.886 where: short stacking energy: -298.287 Base-Backbone interact. energy: -2.983 local terms energy: -325.681294 where: bonds (distance) C4'-P energy: -70.052 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -39.358 tors. eta vs tors. theta energy: -91.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -932.210430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.210430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.210430 (E_RNA) where: Base-Base interactions energy: -635.205 where: short stacking energy: -256.883 Base-Backbone interact. energy: -0.607 local terms energy: -296.398344 where: bonds (distance) C4'-P energy: -46.127 bonds (distance) P-C4' energy: -75.636 flat angles C4'-P-C4' energy: -66.960 flat angles P-C4'-P energy: -41.105 tors. eta vs tors. theta energy: -66.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -934.909973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.909973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.909973 (E_RNA) where: Base-Base interactions energy: -632.319 where: short stacking energy: -270.406 Base-Backbone interact. energy: -0.282 local terms energy: -302.309022 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -58.401 flat angles C4'-P-C4' energy: -72.220 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -71.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -866.555416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.555416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.555416 (E_RNA) where: Base-Base interactions energy: -581.200 where: short stacking energy: -238.361 Base-Backbone interact. energy: -0.372 local terms energy: -284.983985 where: bonds (distance) C4'-P energy: -69.834 bonds (distance) P-C4' energy: -62.603 flat angles C4'-P-C4' energy: -53.925 flat angles P-C4'-P energy: -36.276 tors. eta vs tors. theta energy: -62.347 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -744.521002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.521002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.521002 (E_RNA) where: Base-Base interactions energy: -449.645 where: short stacking energy: -239.462 Base-Backbone interact. energy: -0.506 local terms energy: -294.370766 where: bonds (distance) C4'-P energy: -47.857 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -79.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -456.590699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.590699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.590699 (E_RNA) where: Base-Base interactions energy: -221.195 where: short stacking energy: -137.605 Base-Backbone interact. energy: -1.850 local terms energy: -233.546018 where: bonds (distance) C4'-P energy: -59.673 bonds (distance) P-C4' energy: -65.001 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -34.062 tors. eta vs tors. theta energy: -13.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -502.966936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.966936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.966936 (E_RNA) where: Base-Base interactions energy: -295.288 where: short stacking energy: -157.752 Base-Backbone interact. energy: -0.328 local terms energy: -207.350598 where: bonds (distance) C4'-P energy: -46.957 bonds (distance) P-C4' energy: -54.133 flat angles C4'-P-C4' energy: -55.260 flat angles P-C4'-P energy: -31.916 tors. eta vs tors. theta energy: -19.084 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: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -384.449497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.449497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.449497 (E_RNA) where: Base-Base interactions energy: -179.157 where: short stacking energy: -106.238 Base-Backbone interact. energy: -2.724 local terms energy: -202.568802 where: bonds (distance) C4'-P energy: -55.343 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -51.191 flat angles P-C4'-P energy: -36.665 tors. eta vs tors. theta energy: -3.516 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: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -271.247280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.247280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.247280 (E_RNA) where: Base-Base interactions energy: -96.318 where: short stacking energy: -79.243 Base-Backbone interact. energy: 0.785 local terms energy: -175.714379 where: bonds (distance) C4'-P energy: -56.886 bonds (distance) P-C4' energy: -47.296 flat angles C4'-P-C4' energy: -47.954 flat angles P-C4'-P energy: -24.609 tors. eta vs tors. theta energy: 1.032 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: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1157.767334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.767334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.767334 (E_RNA) where: Base-Base interactions energy: -808.857 where: short stacking energy: -327.866 Base-Backbone interact. energy: 0.807 local terms energy: -349.717511 where: bonds (distance) C4'-P energy: -60.690 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -64.154 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -103.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1027.175058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.175058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.175058 (E_RNA) where: Base-Base interactions energy: -714.908 where: short stacking energy: -313.299 Base-Backbone interact. energy: -2.019 local terms energy: -310.247282 where: bonds (distance) C4'-P energy: -53.609 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -32.477 tors. eta vs tors. theta energy: -85.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1004.659062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.659062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.659062 (E_RNA) where: Base-Base interactions energy: -699.853 where: short stacking energy: -288.736 Base-Backbone interact. energy: -2.332 local terms energy: -302.473356 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -50.838 flat angles C4'-P-C4' energy: -67.977 flat angles P-C4'-P energy: -42.723 tors. eta vs tors. theta energy: -75.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -882.003814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.003814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.003814 (E_RNA) where: Base-Base interactions energy: -592.870 where: short stacking energy: -222.382 Base-Backbone interact. energy: -1.707 local terms energy: -287.427370 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -67.212 flat angles C4'-P-C4' energy: -63.197 flat angles P-C4'-P energy: -30.109 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: 5, replica: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -852.442330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.442330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.442330 (E_RNA) where: Base-Base interactions energy: -562.253 where: short stacking energy: -248.917 Base-Backbone interact. energy: -2.303 local terms energy: -287.885549 where: bonds (distance) C4'-P energy: -58.070 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -64.357 flat angles P-C4'-P energy: -37.102 tors. eta vs tors. theta energy: -66.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -701.220502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.220502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.220502 (E_RNA) where: Base-Base interactions energy: -418.150 where: short stacking energy: -191.454 Base-Backbone interact. energy: -1.023 local terms energy: -282.047534 where: bonds (distance) C4'-P energy: -58.691 bonds (distance) P-C4' energy: -55.137 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -53.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -462.804142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.804142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.804142 (E_RNA) where: Base-Base interactions energy: -243.442 where: short stacking energy: -157.500 Base-Backbone interact. energy: 1.541 local terms energy: -220.902681 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -55.658 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -14.678 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: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -444.084410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.084410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.084410 (E_RNA) where: Base-Base interactions energy: -235.433 where: short stacking energy: -144.867 Base-Backbone interact. energy: -1.426 local terms energy: -207.225423 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -46.818 flat angles C4'-P-C4' energy: -50.247 flat angles P-C4'-P energy: -27.140 tors. eta vs tors. theta energy: -20.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -403.275960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.275960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.275960 (E_RNA) where: Base-Base interactions energy: -215.043 where: short stacking energy: -114.396 Base-Backbone interact. energy: 1.848 local terms energy: -190.080685 where: bonds (distance) C4'-P energy: -52.401 bonds (distance) P-C4' energy: -54.359 flat angles C4'-P-C4' energy: -45.612 flat angles P-C4'-P energy: -29.323 tors. eta vs tors. theta energy: -8.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -261.605932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.605932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.605932 (E_RNA) where: Base-Base interactions energy: -109.002 where: short stacking energy: -96.353 Base-Backbone interact. energy: 6.767 local terms energy: -159.370896 where: bonds (distance) C4'-P energy: -52.836 bonds (distance) P-C4' energy: -46.082 flat angles C4'-P-C4' energy: -39.982 flat angles P-C4'-P energy: -19.823 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1145.177705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.177705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.177705 (E_RNA) where: Base-Base interactions energy: -795.409 where: short stacking energy: -310.360 Base-Backbone interact. energy: -1.538 local terms energy: -348.231679 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -80.312 flat angles P-C4'-P energy: -41.277 tors. eta vs tors. theta energy: -90.270 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: 49 Temperature: 0.950000 Total energy: -1029.540973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.540973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.540973 (E_RNA) where: Base-Base interactions energy: -688.610 where: short stacking energy: -306.437 Base-Backbone interact. energy: -1.418 local terms energy: -339.512870 where: bonds (distance) C4'-P energy: -64.896 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -72.396 flat angles P-C4'-P energy: -47.692 tors. eta vs tors. theta energy: -84.714 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: 10 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -980.766229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.766229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.766229 (E_RNA) where: Base-Base interactions energy: -660.198 where: short stacking energy: -293.000 Base-Backbone interact. energy: 1.016 local terms energy: -321.584929 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -69.150 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -37.365 tors. eta vs tors. theta energy: -80.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -880.616915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.616915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.616915 (E_RNA) where: Base-Base interactions energy: -585.474 where: short stacking energy: -254.345 Base-Backbone interact. energy: 0.033 local terms energy: -295.176037 where: bonds (distance) C4'-P energy: -57.774 bonds (distance) P-C4' energy: -58.849 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -48.213 tors. eta vs tors. theta energy: -59.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -845.473153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.473153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.473153 (E_RNA) where: Base-Base interactions energy: -563.199 where: short stacking energy: -246.503 Base-Backbone interact. energy: -1.650 local terms energy: -280.624060 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -60.286 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: -62.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -764.178543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.178543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.178543 (E_RNA) where: Base-Base interactions energy: -494.617 where: short stacking energy: -241.655 Base-Backbone interact. energy: 2.198 local terms energy: -271.759805 where: bonds (distance) C4'-P energy: -54.286 bonds (distance) P-C4' energy: -52.094 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -47.724 tors. eta vs tors. theta energy: -52.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -450.020209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.020209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.020209 (E_RNA) where: Base-Base interactions energy: -252.009 where: short stacking energy: -148.911 Base-Backbone interact. energy: 2.282 local terms energy: -200.292993 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -21.531 tors. eta vs tors. theta energy: -18.520 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: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -434.917297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.917297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.917297 (E_RNA) where: Base-Base interactions energy: -211.865 where: short stacking energy: -129.604 Base-Backbone interact. energy: 0.816 local terms energy: -223.869068 where: bonds (distance) C4'-P energy: -51.561 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -67.295 flat angles P-C4'-P energy: -23.656 tors. eta vs tors. theta energy: -14.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -410.738234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.738234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.738234 (E_RNA) where: Base-Base interactions energy: -217.486 where: short stacking energy: -127.450 Base-Backbone interact. energy: 0.627 local terms energy: -193.879226 where: bonds (distance) C4'-P energy: -46.981 bonds (distance) P-C4' energy: -52.337 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -32.628 tors. eta vs tors. theta energy: -3.403 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: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -282.362599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.362599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.362599 (E_RNA) where: Base-Base interactions energy: -82.629 where: short stacking energy: -75.173 Base-Backbone interact. energy: -0.227 local terms energy: -199.506142 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -54.078 flat angles C4'-P-C4' energy: -41.407 flat angles P-C4'-P energy: -39.598 tors. eta vs tors. theta energy: -3.884 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: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1156.313227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.313227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.313227 (E_RNA) where: Base-Base interactions energy: -801.304 where: short stacking energy: -328.606 Base-Backbone interact. energy: 0.660 local terms energy: -355.669198 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -66.746 flat angles C4'-P-C4' energy: -79.474 flat angles P-C4'-P energy: -48.155 tors. eta vs tors. theta energy: -93.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1048.941204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.941204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.941204 (E_RNA) where: Base-Base interactions energy: -722.445 where: short stacking energy: -311.368 Base-Backbone interact. energy: -0.682 local terms energy: -325.814295 where: bonds (distance) C4'-P energy: -63.450 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -71.202 flat angles P-C4'-P energy: -47.637 tors. eta vs tors. theta energy: -84.163 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: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -962.202122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.202122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.202122 (E_RNA) where: Base-Base interactions energy: -654.127 where: short stacking energy: -294.973 Base-Backbone interact. energy: 1.147 local terms energy: -309.221587 where: bonds (distance) C4'-P energy: -66.502 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -59.939 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -85.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -876.378339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.378339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.378339 (E_RNA) where: Base-Base interactions energy: -575.235 where: short stacking energy: -253.151 Base-Backbone interact. energy: -1.323 local terms energy: -299.819888 where: bonds (distance) C4'-P energy: -61.833 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -74.925 flat angles P-C4'-P energy: -41.009 tors. eta vs tors. theta energy: -58.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -837.280896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.280896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.280896 (E_RNA) where: Base-Base interactions energy: -574.289 where: short stacking energy: -242.847 Base-Backbone interact. energy: 0.268 local terms energy: -263.260566 where: bonds (distance) C4'-P energy: -61.685 bonds (distance) P-C4' energy: -55.383 flat angles C4'-P-C4' energy: -55.432 flat angles P-C4'-P energy: -29.311 tors. eta vs tors. theta energy: -61.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -710.586713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.586713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.586713 (E_RNA) where: Base-Base interactions energy: -439.166 where: short stacking energy: -224.742 Base-Backbone interact. energy: -0.571 local terms energy: -270.850281 where: bonds (distance) C4'-P energy: -51.637 bonds (distance) P-C4' energy: -63.861 flat angles C4'-P-C4' energy: -56.394 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -56.115 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: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -475.791176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.791176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.791176 (E_RNA) where: Base-Base interactions energy: -256.564 where: short stacking energy: -130.287 Base-Backbone interact. energy: 0.740 local terms energy: -219.967553 where: bonds (distance) C4'-P energy: -57.550 bonds (distance) P-C4' energy: -52.536 flat angles C4'-P-C4' energy: -57.947 flat angles P-C4'-P energy: -37.738 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -450.113408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.113408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.113408 (E_RNA) where: Base-Base interactions energy: -239.196 where: short stacking energy: -120.057 Base-Backbone interact. energy: -1.011 local terms energy: -209.906085 where: bonds (distance) C4'-P energy: -51.389 bonds (distance) P-C4' energy: -65.426 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -22.713 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -402.156187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.156187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.156187 (E_RNA) where: Base-Base interactions energy: -180.052 where: short stacking energy: -113.093 Base-Backbone interact. energy: 1.475 local terms energy: -223.579115 where: bonds (distance) C4'-P energy: -44.223 bonds (distance) P-C4' energy: -66.895 flat angles C4'-P-C4' energy: -46.695 flat angles P-C4'-P energy: -41.494 tors. eta vs tors. theta energy: -24.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -283.768006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.768006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.768006 (E_RNA) where: Base-Base interactions energy: -121.622 where: short stacking energy: -88.259 Base-Backbone interact. energy: 1.164 local terms energy: -163.310037 where: bonds (distance) C4'-P energy: -54.467 bonds (distance) P-C4' energy: -54.924 flat angles C4'-P-C4' energy: -53.436 flat angles P-C4'-P energy: -1.057 tors. eta vs tors. theta energy: 0.574 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: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1154.045270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.045270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.045270 (E_RNA) where: Base-Base interactions energy: -787.646 where: short stacking energy: -323.164 Base-Backbone interact. energy: -1.431 local terms energy: -364.968444 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -48.509 tors. eta vs tors. theta energy: -99.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1059.257428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.257428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.257428 (E_RNA) where: Base-Base interactions energy: -730.605 where: short stacking energy: -317.646 Base-Backbone interact. energy: -0.579 local terms energy: -328.073340 where: bonds (distance) C4'-P energy: -51.629 bonds (distance) P-C4' energy: -63.213 flat angles C4'-P-C4' energy: -72.879 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -93.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1032.565416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.565416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.565416 (E_RNA) where: Base-Base interactions energy: -686.299 where: short stacking energy: -296.471 Base-Backbone interact. energy: 0.446 local terms energy: -346.713340 where: bonds (distance) C4'-P energy: -61.874 bonds (distance) P-C4' energy: -67.917 flat angles C4'-P-C4' energy: -74.105 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -86.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -893.707885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.707885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.707885 (E_RNA) where: Base-Base interactions energy: -594.091 where: short stacking energy: -262.905 Base-Backbone interact. energy: 0.311 local terms energy: -299.928491 where: bonds (distance) C4'-P energy: -60.001 bonds (distance) P-C4' energy: -64.780 flat angles C4'-P-C4' energy: -70.955 flat angles P-C4'-P energy: -36.533 tors. eta vs tors. theta energy: -67.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -867.634776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.634776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.634776 (E_RNA) where: Base-Base interactions energy: -588.765 where: short stacking energy: -249.700 Base-Backbone interact. energy: 1.151 local terms energy: -280.021204 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -54.622 flat angles C4'-P-C4' energy: -57.275 flat angles P-C4'-P energy: -35.175 tors. eta vs tors. theta energy: -66.793 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: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -708.917573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.917573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.917573 (E_RNA) where: Base-Base interactions energy: -424.553 where: short stacking energy: -219.193 Base-Backbone interact. energy: 1.264 local terms energy: -285.628764 where: bonds (distance) C4'-P energy: -65.555 bonds (distance) P-C4' energy: -54.266 flat angles C4'-P-C4' energy: -59.663 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -58.296 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: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -508.111397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.111397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.111397 (E_RNA) where: Base-Base interactions energy: -302.159 where: short stacking energy: -166.041 Base-Backbone interact. energy: -1.481 local terms energy: -204.471664 where: bonds (distance) C4'-P energy: -46.253 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -47.622 flat angles P-C4'-P energy: -23.892 tors. eta vs tors. theta energy: -21.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -462.326578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.326578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.326578 (E_RNA) where: Base-Base interactions energy: -257.940 where: short stacking energy: -147.581 Base-Backbone interact. energy: -0.612 local terms energy: -203.774486 where: bonds (distance) C4'-P energy: -54.875 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -36.067 flat angles P-C4'-P energy: -28.429 tors. eta vs tors. theta energy: -28.215 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: 51 Temperature: 1.300000 Total energy: -381.178926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.178926 (E_RNA) where: Base-Base interactions energy: -207.715 where: short stacking energy: -122.710 Base-Backbone interact. energy: -0.273 local terms energy: -173.191425 where: bonds (distance) C4'-P energy: -49.444 bonds (distance) P-C4' energy: -43.362 flat angles C4'-P-C4' energy: -56.768 flat angles P-C4'-P energy: -21.429 tors. eta vs tors. theta energy: -2.188 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: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -271.723320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.723320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.723320 (E_RNA) where: Base-Base interactions energy: -100.006 where: short stacking energy: -84.719 Base-Backbone interact. energy: -0.228 local terms energy: -171.488816 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -57.815 flat angles C4'-P-C4' energy: -43.585 flat angles P-C4'-P energy: -26.861 tors. eta vs tors. theta energy: 11.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1157.859002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.859002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.859002 (E_RNA) where: Base-Base interactions energy: -808.371 where: short stacking energy: -333.688 Base-Backbone interact. energy: -2.606 local terms energy: -346.882140 where: bonds (distance) C4'-P energy: -70.146 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -74.051 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -94.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1080.108852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.108852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.108852 (E_RNA) where: Base-Base interactions energy: -744.408 where: short stacking energy: -294.426 Base-Backbone interact. energy: -2.692 local terms energy: -333.008582 where: bonds (distance) C4'-P energy: -62.020 bonds (distance) P-C4' energy: -67.211 flat angles C4'-P-C4' energy: -62.008 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -92.254 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: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1020.780722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.780722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.780722 (E_RNA) where: Base-Base interactions energy: -701.609 where: short stacking energy: -303.178 Base-Backbone interact. energy: 1.499 local terms energy: -320.670561 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -87.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -905.910262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.910262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.910262 (E_RNA) where: Base-Base interactions energy: -614.688 where: short stacking energy: -261.251 Base-Backbone interact. energy: -0.568 local terms energy: -290.654583 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -47.953 flat angles C4'-P-C4' energy: -57.385 flat angles P-C4'-P energy: -45.466 tors. eta vs tors. theta energy: -63.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -849.264964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.264964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.264964 (E_RNA) where: Base-Base interactions energy: -551.634 where: short stacking energy: -245.622 Base-Backbone interact. energy: -2.021 local terms energy: -295.610689 where: bonds (distance) C4'-P energy: -56.187 bonds (distance) P-C4' energy: -71.221 flat angles C4'-P-C4' energy: -71.134 flat angles P-C4'-P energy: -43.157 tors. eta vs tors. theta energy: -53.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -746.657671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.657671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.657671 (E_RNA) where: Base-Base interactions energy: -484.476 where: short stacking energy: -238.292 Base-Backbone interact. energy: 0.166 local terms energy: -262.347381 where: bonds (distance) C4'-P energy: -50.126 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -54.019 flat angles P-C4'-P energy: -36.108 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: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -449.682792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.682792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.682792 (E_RNA) where: Base-Base interactions energy: -232.040 where: short stacking energy: -145.044 Base-Backbone interact. energy: 1.114 local terms energy: -218.755987 where: bonds (distance) C4'-P energy: -60.452 bonds (distance) P-C4' energy: -55.910 flat angles C4'-P-C4' energy: -53.864 flat angles P-C4'-P energy: -25.584 tors. eta vs tors. theta energy: -22.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -466.587200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.587200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.587200 (E_RNA) where: Base-Base interactions energy: -268.824 where: short stacking energy: -138.512 Base-Backbone interact. energy: 1.050 local terms energy: -198.812739 where: bonds (distance) C4'-P energy: -48.390 bonds (distance) P-C4' energy: -40.653 flat angles C4'-P-C4' energy: -57.397 flat angles P-C4'-P energy: -29.316 tors. eta vs tors. theta energy: -23.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -345.064181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.064181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.064181 (E_RNA) where: Base-Base interactions energy: -159.964 where: short stacking energy: -100.932 Base-Backbone interact. energy: 3.042 local terms energy: -188.141823 where: bonds (distance) C4'-P energy: -54.071 bonds (distance) P-C4' energy: -65.502 flat angles C4'-P-C4' energy: -40.718 flat angles P-C4'-P energy: -27.736 tors. eta vs tors. theta energy: -0.114 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: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -323.996055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.996055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.996055 (E_RNA) where: Base-Base interactions energy: -140.875 where: short stacking energy: -105.143 Base-Backbone interact. energy: -1.785 local terms energy: -181.336504 where: bonds (distance) C4'-P energy: -54.548 bonds (distance) P-C4' energy: -51.849 flat angles C4'-P-C4' energy: -51.846 flat angles P-C4'-P energy: -32.861 tors. eta vs tors. theta energy: 9.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1147.961867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.961867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.961867 (E_RNA) where: Base-Base interactions energy: -776.927 where: short stacking energy: -322.682 Base-Backbone interact. energy: -1.441 local terms energy: -369.593761 where: bonds (distance) C4'-P energy: -68.756 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -74.679 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -92.558 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: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1078.726533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.726533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.726533 (E_RNA) where: Base-Base interactions energy: -722.426 where: short stacking energy: -327.289 Base-Backbone interact. energy: 0.039 local terms energy: -356.339676 where: bonds (distance) C4'-P energy: -63.520 bonds (distance) P-C4' energy: -68.137 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -53.003 tors. eta vs tors. theta energy: -96.127 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: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1029.628617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.628617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.628617 (E_RNA) where: Base-Base interactions energy: -692.640 where: short stacking energy: -287.155 Base-Backbone interact. energy: -2.735 local terms energy: -334.253223 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -74.993 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -79.860 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: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -927.247355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.247355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.247355 (E_RNA) where: Base-Base interactions energy: -629.593 where: short stacking energy: -286.497 Base-Backbone interact. energy: 0.009 local terms energy: -297.663815 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -71.115 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -66.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -862.987912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.987912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.987912 (E_RNA) where: Base-Base interactions energy: -569.090 where: short stacking energy: -226.599 Base-Backbone interact. energy: 3.447 local terms energy: -297.344070 where: bonds (distance) C4'-P energy: -66.560 bonds (distance) P-C4' energy: -62.706 flat angles C4'-P-C4' energy: -61.286 flat angles P-C4'-P energy: -43.856 tors. eta vs tors. theta energy: -62.937 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: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -728.730465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.730465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.730465 (E_RNA) where: Base-Base interactions energy: -450.992 where: short stacking energy: -246.581 Base-Backbone interact. energy: -0.275 local terms energy: -277.462923 where: bonds (distance) C4'-P energy: -46.761 bonds (distance) P-C4' energy: -58.098 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -37.388 tors. eta vs tors. theta energy: -67.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -490.513863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.513863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.513863 (E_RNA) where: Base-Base interactions energy: -259.616 where: short stacking energy: -159.532 Base-Backbone interact. energy: -0.911 local terms energy: -229.987208 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -54.526 flat angles C4'-P-C4' energy: -57.260 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -29.594 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: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -458.615051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.615051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.615051 (E_RNA) where: Base-Base interactions energy: -254.122 where: short stacking energy: -124.903 Base-Backbone interact. energy: 0.447 local terms energy: -204.939964 where: bonds (distance) C4'-P energy: -69.094 bonds (distance) P-C4' energy: -52.012 flat angles C4'-P-C4' energy: -45.125 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: -0.454 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: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -326.003065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.003065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.003065 (E_RNA) where: Base-Base interactions energy: -146.368 where: short stacking energy: -79.000 Base-Backbone interact. energy: 1.918 local terms energy: -181.552870 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -33.997 flat angles P-C4'-P energy: -30.905 tors. eta vs tors. theta energy: 11.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -294.124599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.124599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.124599 (E_RNA) where: Base-Base interactions energy: -112.063 where: short stacking energy: -89.611 Base-Backbone interact. energy: 1.921 local terms energy: -183.983053 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -35.727 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1150.537116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.537116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.537116 (E_RNA) where: Base-Base interactions energy: -800.068 where: short stacking energy: -323.678 Base-Backbone interact. energy: -0.925 local terms energy: -349.544230 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -73.796 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -98.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1067.605556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.605556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.605556 (E_RNA) where: Base-Base interactions energy: -724.972 where: short stacking energy: -317.047 Base-Backbone interact. energy: -0.585 local terms energy: -342.048479 where: bonds (distance) C4'-P energy: -60.317 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -53.033 tors. eta vs tors. theta energy: -92.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1006.406719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.406719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.406719 (E_RNA) where: Base-Base interactions energy: -685.222 where: short stacking energy: -286.384 Base-Backbone interact. energy: -0.948 local terms energy: -320.237139 where: bonds (distance) C4'-P energy: -57.312 bonds (distance) P-C4' energy: -71.460 flat angles C4'-P-C4' energy: -72.939 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -73.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -913.900144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.900144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.900144 (E_RNA) where: Base-Base interactions energy: -606.310 where: short stacking energy: -251.247 Base-Backbone interact. energy: 2.667 local terms energy: -310.257610 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -70.873 flat angles C4'-P-C4' energy: -63.651 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -64.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -806.907794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.907794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.907794 (E_RNA) where: Base-Base interactions energy: -517.071 where: short stacking energy: -224.447 Base-Backbone interact. energy: -1.860 local terms energy: -287.976504 where: bonds (distance) C4'-P energy: -63.260 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -64.789 flat angles P-C4'-P energy: -46.212 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -752.032314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.032314 (E_RNA) where: Base-Base interactions energy: -479.429 where: short stacking energy: -243.108 Base-Backbone interact. energy: -2.101 local terms energy: -270.502904 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -51.761 flat angles C4'-P-C4' energy: -52.031 flat angles P-C4'-P energy: -34.006 tors. eta vs tors. theta energy: -73.155 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: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -537.449637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.449637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.449637 (E_RNA) where: Base-Base interactions energy: -296.002 where: short stacking energy: -177.318 Base-Backbone interact. energy: 0.613 local terms energy: -242.061035 where: bonds (distance) C4'-P energy: -58.164 bonds (distance) P-C4' energy: -45.793 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: -36.328 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: 8, replica: 8 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -430.062763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.062763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.062763 (E_RNA) where: Base-Base interactions energy: -219.791 where: short stacking energy: -130.375 Base-Backbone interact. energy: -1.272 local terms energy: -208.999527 where: bonds (distance) C4'-P energy: -56.862 bonds (distance) P-C4' energy: -61.772 flat angles C4'-P-C4' energy: -47.828 flat angles P-C4'-P energy: -28.523 tors. eta vs tors. theta energy: -14.013 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: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -313.270748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.270748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.270748 (E_RNA) where: Base-Base interactions energy: -126.614 where: short stacking energy: -96.771 Base-Backbone interact. energy: -3.123 local terms energy: -183.533154 where: bonds (distance) C4'-P energy: -55.571 bonds (distance) P-C4' energy: -59.635 flat angles C4'-P-C4' energy: -39.686 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: 5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -253.048471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.048471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.048471 (E_RNA) where: Base-Base interactions energy: -80.557 where: short stacking energy: -77.126 Base-Backbone interact. energy: -0.150 local terms energy: -172.341576 where: bonds (distance) C4'-P energy: -55.179 bonds (distance) P-C4' energy: -64.490 flat angles C4'-P-C4' energy: -46.013 flat angles P-C4'-P energy: -19.498 tors. eta vs tors. theta energy: 12.838 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: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1158.321276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.321276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.321276 (E_RNA) where: Base-Base interactions energy: -792.390 where: short stacking energy: -316.167 Base-Backbone interact. energy: -2.023 local terms energy: -363.907713 where: bonds (distance) C4'-P energy: -70.265 bonds (distance) P-C4' energy: -76.932 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -46.709 tors. eta vs tors. theta energy: -97.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1036.069597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.069597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.069597 (E_RNA) where: Base-Base interactions energy: -711.058 where: short stacking energy: -309.397 Base-Backbone interact. energy: -1.361 local terms energy: -323.650762 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -72.049 flat angles C4'-P-C4' energy: -60.437 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -86.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1057.084656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.084656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.084656 (E_RNA) where: Base-Base interactions energy: -722.428 where: short stacking energy: -310.668 Base-Backbone interact. energy: -1.227 local terms energy: -333.430333 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -54.706 flat angles C4'-P-C4' energy: -78.691 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -93.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -915.173193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.173193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.173193 (E_RNA) where: Base-Base interactions energy: -641.067 where: short stacking energy: -264.841 Base-Backbone interact. energy: -1.743 local terms energy: -272.362726 where: bonds (distance) C4'-P energy: -52.191 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -63.903 flat angles P-C4'-P energy: -39.766 tors. eta vs tors. theta energy: -58.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -825.096046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.096046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.096046 (E_RNA) where: Base-Base interactions energy: -531.465 where: short stacking energy: -229.036 Base-Backbone interact. energy: -1.265 local terms energy: -292.366656 where: bonds (distance) C4'-P energy: -55.413 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -63.157 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -65.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -761.203305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.203305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.203305 (E_RNA) where: Base-Base interactions energy: -483.997 where: short stacking energy: -231.124 Base-Backbone interact. energy: -0.565 local terms energy: -276.641071 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -51.200 flat angles C4'-P-C4' energy: -56.554 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -66.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -559.758206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.758206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.758206 (E_RNA) where: Base-Base interactions energy: -314.274 where: short stacking energy: -158.600 Base-Backbone interact. energy: 0.563 local terms energy: -246.046652 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -61.113 flat angles P-C4'-P energy: -31.327 tors. eta vs tors. theta energy: -33.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -442.856609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.856609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.856609 (E_RNA) where: Base-Base interactions energy: -234.892 where: short stacking energy: -129.190 Base-Backbone interact. energy: -1.709 local terms energy: -206.255390 where: bonds (distance) C4'-P energy: -62.904 bonds (distance) P-C4' energy: -61.216 flat angles C4'-P-C4' energy: -47.940 flat angles P-C4'-P energy: -18.234 tors. eta vs tors. theta energy: -15.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -352.559345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.559345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.559345 (E_RNA) where: Base-Base interactions energy: -165.720 where: short stacking energy: -105.981 Base-Backbone interact. energy: -1.072 local terms energy: -185.767111 where: bonds (distance) C4'-P energy: -49.699 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -46.791 flat angles P-C4'-P energy: -28.535 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -291.781775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.781775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.781775 (E_RNA) where: Base-Base interactions energy: -126.668 where: short stacking energy: -86.365 Base-Backbone interact. energy: 0.990 local terms energy: -166.103336 where: bonds (distance) C4'-P energy: -43.815 bonds (distance) P-C4' energy: -64.752 flat angles C4'-P-C4' energy: -49.991 flat angles P-C4'-P energy: -21.272 tors. eta vs tors. theta energy: 13.727 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: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1132.705344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.705344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.705344 (E_RNA) where: Base-Base interactions energy: -784.043 where: short stacking energy: -292.582 Base-Backbone interact. energy: -1.250 local terms energy: -347.412550 where: bonds (distance) C4'-P energy: -64.068 bonds (distance) P-C4' energy: -70.583 flat angles C4'-P-C4' energy: -75.736 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -92.898 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: 56 Temperature: 0.950000 Total energy: -1047.340591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.340591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.340591 (E_RNA) where: Base-Base interactions energy: -710.583 where: short stacking energy: -293.359 Base-Backbone interact. energy: -1.003 local terms energy: -335.755000 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -62.936 flat angles C4'-P-C4' energy: -67.619 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -84.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1052.525410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.525410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.525410 (E_RNA) where: Base-Base interactions energy: -713.331 where: short stacking energy: -308.271 Base-Backbone interact. energy: -1.612 local terms energy: -337.582079 where: bonds (distance) C4'-P energy: -49.885 bonds (distance) P-C4' energy: -69.363 flat angles C4'-P-C4' energy: -73.732 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -93.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -938.912668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.912668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.912668 (E_RNA) where: Base-Base interactions energy: -669.743 where: short stacking energy: -273.401 Base-Backbone interact. energy: -0.746 local terms energy: -268.424001 where: bonds (distance) C4'-P energy: -51.298 bonds (distance) P-C4' energy: -56.045 flat angles C4'-P-C4' energy: -63.434 flat angles P-C4'-P energy: -33.381 tors. eta vs tors. theta energy: -64.266 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -857.286790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.286790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.286790 (E_RNA) where: Base-Base interactions energy: -541.430 where: short stacking energy: -237.249 Base-Backbone interact. energy: -0.354 local terms energy: -315.502597 where: bonds (distance) C4'-P energy: -57.701 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -70.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -724.718572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.718572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.718572 (E_RNA) where: Base-Base interactions energy: -449.553 where: short stacking energy: -223.790 Base-Backbone interact. energy: 2.151 local terms energy: -277.316768 where: bonds (distance) C4'-P energy: -65.067 bonds (distance) P-C4' energy: -52.894 flat angles C4'-P-C4' energy: -62.372 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: -55.034 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -538.993518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.993518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.993518 (E_RNA) where: Base-Base interactions energy: -310.814 where: short stacking energy: -176.523 Base-Backbone interact. energy: -0.807 local terms energy: -227.372866 where: bonds (distance) C4'-P energy: -56.515 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -42.118 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -20.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -472.884541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.884541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.884541 (E_RNA) where: Base-Base interactions energy: -253.276 where: short stacking energy: -149.707 Base-Backbone interact. energy: -0.432 local terms energy: -219.176853 where: bonds (distance) C4'-P energy: -48.115 bonds (distance) P-C4' energy: -50.265 flat angles C4'-P-C4' energy: -52.597 flat angles P-C4'-P energy: -31.248 tors. eta vs tors. theta energy: -36.952 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: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -347.851432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.851432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.851432 (E_RNA) where: Base-Base interactions energy: -165.331 where: short stacking energy: -114.648 Base-Backbone interact. energy: 1.024 local terms energy: -183.544421 where: bonds (distance) C4'-P energy: -57.234 bonds (distance) P-C4' energy: -54.472 flat angles C4'-P-C4' energy: -44.312 flat angles P-C4'-P energy: -32.781 tors. eta vs tors. theta energy: 5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -300.621588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.621588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.621588 (E_RNA) where: Base-Base interactions energy: -122.251 where: short stacking energy: -79.771 Base-Backbone interact. energy: -2.165 local terms energy: -176.205538 where: bonds (distance) C4'-P energy: -39.678 bonds (distance) P-C4' energy: -56.985 flat angles C4'-P-C4' energy: -62.300 flat angles P-C4'-P energy: -14.431 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1137.590936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.590936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.590936 (E_RNA) where: Base-Base interactions energy: -772.655 where: short stacking energy: -322.517 Base-Backbone interact. energy: -2.146 local terms energy: -362.789587 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -80.520 flat angles P-C4'-P energy: -55.192 tors. eta vs tors. theta energy: -100.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1043.349399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.349399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.349399 (E_RNA) where: Base-Base interactions energy: -714.810 where: short stacking energy: -305.545 Base-Backbone interact. energy: -2.434 local terms energy: -326.105689 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -76.315 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -39.591 tors. eta vs tors. theta energy: -78.594 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: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1048.541421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.541421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.541421 (E_RNA) where: Base-Base interactions energy: -713.574 where: short stacking energy: -311.017 Base-Backbone interact. energy: -1.680 local terms energy: -333.287798 where: bonds (distance) C4'-P energy: -65.579 bonds (distance) P-C4' energy: -52.609 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -95.946 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: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -910.139790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.139790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.139790 (E_RNA) where: Base-Base interactions energy: -616.240 where: short stacking energy: -251.507 Base-Backbone interact. energy: -0.570 local terms energy: -293.329947 where: bonds (distance) C4'-P energy: -62.890 bonds (distance) P-C4' energy: -60.592 flat angles C4'-P-C4' energy: -66.133 flat angles P-C4'-P energy: -44.074 tors. eta vs tors. theta energy: -59.640 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -843.637577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.637577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.637577 (E_RNA) where: Base-Base interactions energy: -569.624 where: short stacking energy: -239.937 Base-Backbone interact. energy: -2.584 local terms energy: -271.430086 where: bonds (distance) C4'-P energy: -54.182 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -45.044 flat angles P-C4'-P energy: -46.383 tors. eta vs tors. theta energy: -65.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -698.143838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.143838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.143838 (E_RNA) where: Base-Base interactions energy: -420.782 where: short stacking energy: -201.957 Base-Backbone interact. energy: -1.078 local terms energy: -276.283465 where: bonds (distance) C4'-P energy: -56.485 bonds (distance) P-C4' energy: -65.143 flat angles C4'-P-C4' energy: -67.286 flat angles P-C4'-P energy: -30.880 tors. eta vs tors. theta energy: -56.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -548.091108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.091108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.091108 (E_RNA) where: Base-Base interactions energy: -326.389 where: short stacking energy: -177.322 Base-Backbone interact. energy: -1.701 local terms energy: -220.000491 where: bonds (distance) C4'-P energy: -46.883 bonds (distance) P-C4' energy: -48.700 flat angles C4'-P-C4' energy: -56.545 flat angles P-C4'-P energy: -40.435 tors. eta vs tors. theta energy: -27.437 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -450.334659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.334659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.334659 (E_RNA) where: Base-Base interactions energy: -226.805 where: short stacking energy: -124.919 Base-Backbone interact. energy: 0.439 local terms energy: -223.968600 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -56.031 flat angles P-C4'-P energy: -32.199 tors. eta vs tors. theta energy: -28.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -313.128061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.128061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.128061 (E_RNA) where: Base-Base interactions energy: -107.487 where: short stacking energy: -90.415 Base-Backbone interact. energy: 0.483 local terms energy: -206.123747 where: bonds (distance) C4'-P energy: -45.145 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -59.014 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -1.768 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: 10, replica: 2 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -273.335385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.335385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.335385 (E_RNA) where: Base-Base interactions energy: -116.532 where: short stacking energy: -91.500 Base-Backbone interact. energy: -0.545 local terms energy: -156.258113 where: bonds (distance) C4'-P energy: -45.389 bonds (distance) P-C4' energy: -46.074 flat angles C4'-P-C4' energy: -55.589 flat angles P-C4'-P energy: -12.551 tors. eta vs tors. theta energy: 3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1155.637730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.637730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.637730 (E_RNA) where: Base-Base interactions energy: -791.571 where: short stacking energy: -344.500 Base-Backbone interact. energy: -1.437 local terms energy: -362.630031 where: bonds (distance) C4'-P energy: -55.823 bonds (distance) P-C4' energy: -71.303 flat angles C4'-P-C4' energy: -77.280 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -103.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1067.843765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.843765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.843765 (E_RNA) where: Base-Base interactions energy: -732.623 where: short stacking energy: -297.938 Base-Backbone interact. energy: -1.984 local terms energy: -333.237005 where: bonds (distance) C4'-P energy: -66.431 bonds (distance) P-C4' energy: -67.444 flat angles C4'-P-C4' energy: -72.009 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -83.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1045.565040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.565040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.565040 (E_RNA) where: Base-Base interactions energy: -713.451 where: short stacking energy: -318.209 Base-Backbone interact. energy: -0.285 local terms energy: -331.829193 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -60.270 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -87.711 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: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -937.845781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.845781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.845781 (E_RNA) where: Base-Base interactions energy: -651.742 where: short stacking energy: -272.231 Base-Backbone interact. energy: 0.302 local terms energy: -286.406019 where: bonds (distance) C4'-P energy: -50.562 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -58.265 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -73.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -828.826497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.826497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.826497 (E_RNA) where: Base-Base interactions energy: -559.115 where: short stacking energy: -224.291 Base-Backbone interact. energy: 0.801 local terms energy: -270.511950 where: bonds (distance) C4'-P energy: -52.956 bonds (distance) P-C4' energy: -60.311 flat angles C4'-P-C4' energy: -57.891 flat angles P-C4'-P energy: -40.593 tors. eta vs tors. theta energy: -58.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -661.172091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.172091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.172091 (E_RNA) where: Base-Base interactions energy: -400.909 where: short stacking energy: -187.215 Base-Backbone interact. energy: -0.293 local terms energy: -259.969509 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -51.849 flat angles C4'-P-C4' energy: -62.363 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: -45.693 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: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -556.296284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.296284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.296284 (E_RNA) where: Base-Base interactions energy: -319.907 where: short stacking energy: -177.435 Base-Backbone interact. energy: -1.500 local terms energy: -234.889577 where: bonds (distance) C4'-P energy: -53.910 bonds (distance) P-C4' energy: -71.293 flat angles C4'-P-C4' energy: -48.676 flat angles P-C4'-P energy: -28.128 tors. eta vs tors. theta energy: -32.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -466.874544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.874544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.874544 (E_RNA) where: Base-Base interactions energy: -264.171 where: short stacking energy: -132.935 Base-Backbone interact. energy: 2.735 local terms energy: -205.438519 where: bonds (distance) C4'-P energy: -51.439 bonds (distance) P-C4' energy: -43.943 flat angles C4'-P-C4' energy: -53.570 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -12.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -313.742379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.742379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.742379 (E_RNA) where: Base-Base interactions energy: -117.009 where: short stacking energy: -93.905 Base-Backbone interact. energy: -1.358 local terms energy: -195.375831 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -64.677 flat angles C4'-P-C4' energy: -44.755 flat angles P-C4'-P energy: -23.480 tors. eta vs tors. theta energy: 1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -267.023792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.023792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.023792 (E_RNA) where: Base-Base interactions energy: -107.031 where: short stacking energy: -97.001 Base-Backbone interact. energy: -1.017 local terms energy: -158.976213 where: bonds (distance) C4'-P energy: -46.854 bonds (distance) P-C4' energy: -56.306 flat angles C4'-P-C4' energy: -43.448 flat angles P-C4'-P energy: -22.833 tors. eta vs tors. theta energy: 10.466 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1183.317026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.317026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.317026 (E_RNA) where: Base-Base interactions energy: -822.095 where: short stacking energy: -336.345 Base-Backbone interact. energy: -1.285 local terms energy: -359.937095 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -80.324 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -101.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1065.871186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.871186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.871186 (E_RNA) where: Base-Base interactions energy: -725.238 where: short stacking energy: -291.757 Base-Backbone interact. energy: -2.321 local terms energy: -338.312299 where: bonds (distance) C4'-P energy: -69.847 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -40.508 tors. eta vs tors. theta energy: -89.631 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: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1045.903112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.903112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.903112 (E_RNA) where: Base-Base interactions energy: -707.967 where: short stacking energy: -302.624 Base-Backbone interact. energy: -0.280 local terms energy: -337.657000 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -63.042 flat angles C4'-P-C4' energy: -69.790 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -90.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -931.572346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.572346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.572346 (E_RNA) where: Base-Base interactions energy: -611.703 where: short stacking energy: -248.933 Base-Backbone interact. energy: -0.955 local terms energy: -318.914280 where: bonds (distance) C4'-P energy: -62.182 bonds (distance) P-C4' energy: -72.566 flat angles C4'-P-C4' energy: -72.428 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -64.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -825.170386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.170386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.170386 (E_RNA) where: Base-Base interactions energy: -564.216 where: short stacking energy: -250.739 Base-Backbone interact. energy: -2.137 local terms energy: -258.817261 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -51.176 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -32.605 tors. eta vs tors. theta energy: -60.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -649.908383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.908383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.908383 (E_RNA) where: Base-Base interactions energy: -386.852 where: short stacking energy: -200.015 Base-Backbone interact. energy: -0.783 local terms energy: -262.273672 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -44.761 flat angles C4'-P-C4' energy: -60.239 flat angles P-C4'-P energy: -48.456 tors. eta vs tors. theta energy: -44.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -519.554470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.554470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.554470 (E_RNA) where: Base-Base interactions energy: -306.364 where: short stacking energy: -153.889 Base-Backbone interact. energy: 3.672 local terms energy: -216.863268 where: bonds (distance) C4'-P energy: -41.941 bonds (distance) P-C4' energy: -56.046 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -24.057 tors. eta vs tors. theta energy: -25.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -429.008674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.008674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.008674 (E_RNA) where: Base-Base interactions energy: -215.159 where: short stacking energy: -111.687 Base-Backbone interact. energy: 2.292 local terms energy: -216.142182 where: bonds (distance) C4'-P energy: -52.817 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -32.059 tors. eta vs tors. theta energy: -12.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -304.881660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.881660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.881660 (E_RNA) where: Base-Base interactions energy: -121.146 where: short stacking energy: -84.220 Base-Backbone interact. energy: 0.396 local terms energy: -184.131049 where: bonds (distance) C4'-P energy: -58.375 bonds (distance) P-C4' energy: -62.624 flat angles C4'-P-C4' energy: -53.674 flat angles P-C4'-P energy: -15.276 tors. eta vs tors. theta energy: 5.819 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: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -271.278472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.278472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.278472 (E_RNA) where: Base-Base interactions energy: -95.496 where: short stacking energy: -72.711 Base-Backbone interact. energy: 2.255 local terms energy: -178.036825 where: bonds (distance) C4'-P energy: -61.089 bonds (distance) P-C4' energy: -56.782 flat angles C4'-P-C4' energy: -51.540 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: 4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1148.990946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.990946 (E_RNA) where: Base-Base interactions energy: -796.069 where: short stacking energy: -326.152 Base-Backbone interact. energy: -1.722 local terms energy: -351.199869 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -71.419 flat angles C4'-P-C4' energy: -69.366 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: -98.874 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: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1064.000722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.000722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.000722 (E_RNA) where: Base-Base interactions energy: -731.636 where: short stacking energy: -306.185 Base-Backbone interact. energy: -2.260 local terms energy: -330.104966 where: bonds (distance) C4'-P energy: -61.459 bonds (distance) P-C4' energy: -67.776 flat angles C4'-P-C4' energy: -72.804 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -80.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1047.930225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.930225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.930225 (E_RNA) where: Base-Base interactions energy: -719.667 where: short stacking energy: -299.900 Base-Backbone interact. energy: -0.886 local terms energy: -327.377922 where: bonds (distance) C4'-P energy: -71.171 bonds (distance) P-C4' energy: -63.097 flat angles C4'-P-C4' energy: -71.650 flat angles P-C4'-P energy: -36.693 tors. eta vs tors. theta energy: -84.767 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: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -937.856486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.856486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.856486 (E_RNA) where: Base-Base interactions energy: -644.491 where: short stacking energy: -271.941 Base-Backbone interact. energy: -0.886 local terms energy: -292.479336 where: bonds (distance) C4'-P energy: -61.433 bonds (distance) P-C4' energy: -72.139 flat angles C4'-P-C4' energy: -52.145 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -61.009 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: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -850.015729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.015729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.015729 (E_RNA) where: Base-Base interactions energy: -554.783 where: short stacking energy: -228.904 Base-Backbone interact. energy: -0.979 local terms energy: -294.253990 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -65.964 flat angles C4'-P-C4' energy: -59.678 flat angles P-C4'-P energy: -31.741 tors. eta vs tors. theta energy: -72.679 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: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -656.231716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.231716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.231716 (E_RNA) where: Base-Base interactions energy: -388.004 where: short stacking energy: -199.920 Base-Backbone interact. energy: 1.209 local terms energy: -269.436056 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -54.005 flat angles C4'-P-C4' energy: -68.285 flat angles P-C4'-P energy: -37.388 tors. eta vs tors. theta energy: -47.438 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: 60 Temperature: 1.200000 Total energy: -496.526939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.526939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.526939 (E_RNA) where: Base-Base interactions energy: -275.941 where: short stacking energy: -141.335 Base-Backbone interact. energy: 0.322 local terms energy: -220.907423 where: bonds (distance) C4'-P energy: -52.493 bonds (distance) P-C4' energy: -64.319 flat angles C4'-P-C4' energy: -47.529 flat angles P-C4'-P energy: -36.168 tors. eta vs tors. theta energy: -20.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -500.970565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.970565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.970565 (E_RNA) where: Base-Base interactions energy: -281.542 where: short stacking energy: -152.524 Base-Backbone interact. energy: 3.299 local terms energy: -222.727293 where: bonds (distance) C4'-P energy: -49.811 bonds (distance) P-C4' energy: -66.935 flat angles C4'-P-C4' energy: -54.480 flat angles P-C4'-P energy: -20.690 tors. eta vs tors. theta energy: -30.812 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: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -312.454678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.454678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.454678 (E_RNA) where: Base-Base interactions energy: -117.335 where: short stacking energy: -81.057 Base-Backbone interact. energy: 0.202 local terms energy: -195.322100 where: bonds (distance) C4'-P energy: -55.971 bonds (distance) P-C4' energy: -68.286 flat angles C4'-P-C4' energy: -38.591 flat angles P-C4'-P energy: -31.154 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -266.384833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.384833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.384833 (E_RNA) where: Base-Base interactions energy: -85.819 where: short stacking energy: -74.149 Base-Backbone interact. energy: 1.897 local terms energy: -182.463211 where: bonds (distance) C4'-P energy: -45.711 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -46.911 flat angles P-C4'-P energy: -22.778 tors. eta vs tors. theta energy: -1.904 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: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1149.396806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.396806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.396806 (E_RNA) where: Base-Base interactions energy: -784.761 where: short stacking energy: -323.632 Base-Backbone interact. energy: -1.239 local terms energy: -363.396500 where: bonds (distance) C4'-P energy: -73.158 bonds (distance) P-C4' energy: -64.728 flat angles C4'-P-C4' energy: -75.046 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -100.956 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: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1076.374567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.374567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.374567 (E_RNA) where: Base-Base interactions energy: -741.896 where: short stacking energy: -296.623 Base-Backbone interact. energy: -0.929 local terms energy: -333.548921 where: bonds (distance) C4'-P energy: -65.047 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -70.862 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -79.692 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: 61 Temperature: 1.000000 Total energy: -1042.715451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.715451 (E_RNA) where: Base-Base interactions energy: -719.387 where: short stacking energy: -298.975 Base-Backbone interact. energy: 0.703 local terms energy: -324.031417 where: bonds (distance) C4'-P energy: -56.863 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -69.025 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -78.798 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: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -899.892916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.892916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.892916 (E_RNA) where: Base-Base interactions energy: -634.710 where: short stacking energy: -274.583 Base-Backbone interact. energy: 0.786 local terms energy: -265.969907 where: bonds (distance) C4'-P energy: -50.973 bonds (distance) P-C4' energy: -53.103 flat angles C4'-P-C4' energy: -59.782 flat angles P-C4'-P energy: -43.229 tors. eta vs tors. theta energy: -58.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -851.656727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.656727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.656727 (E_RNA) where: Base-Base interactions energy: -575.702 where: short stacking energy: -249.358 Base-Backbone interact. energy: -2.536 local terms energy: -273.419511 where: bonds (distance) C4'-P energy: -48.239 bonds (distance) P-C4' energy: -57.782 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -37.688 tors. eta vs tors. theta energy: -64.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -697.810923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.810923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.810923 (E_RNA) where: Base-Base interactions energy: -439.570 where: short stacking energy: -209.246 Base-Backbone interact. energy: 0.159 local terms energy: -258.399770 where: bonds (distance) C4'-P energy: -48.260 bonds (distance) P-C4' energy: -55.819 flat angles C4'-P-C4' energy: -62.489 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -53.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -531.403235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.403235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.403235 (E_RNA) where: Base-Base interactions energy: -305.661 where: short stacking energy: -144.505 Base-Backbone interact. energy: -1.797 local terms energy: -223.945863 where: bonds (distance) C4'-P energy: -51.372 bonds (distance) P-C4' energy: -56.580 flat angles C4'-P-C4' energy: -52.405 flat angles P-C4'-P energy: -38.435 tors. eta vs tors. theta energy: -25.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -489.714267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.714267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.714267 (E_RNA) where: Base-Base interactions energy: -264.093 where: short stacking energy: -141.800 Base-Backbone interact. energy: 2.442 local terms energy: -228.062732 where: bonds (distance) C4'-P energy: -51.785 bonds (distance) P-C4' energy: -65.677 flat angles C4'-P-C4' energy: -55.906 flat angles P-C4'-P energy: -37.058 tors. eta vs tors. theta energy: -17.637 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: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -304.105682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.105682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.105682 (E_RNA) where: Base-Base interactions energy: -121.432 where: short stacking energy: -82.329 Base-Backbone interact. energy: -1.867 local terms energy: -180.806689 where: bonds (distance) C4'-P energy: -52.688 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -39.717 flat angles P-C4'-P energy: -30.046 tors. eta vs tors. theta energy: 10.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -294.173841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.173841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.173841 (E_RNA) where: Base-Base interactions energy: -142.131 where: short stacking energy: -93.270 Base-Backbone interact. energy: 6.508 local terms energy: -158.551537 where: bonds (distance) C4'-P energy: -66.109 bonds (distance) P-C4' energy: -58.142 flat angles C4'-P-C4' energy: -26.696 flat angles P-C4'-P energy: -13.081 tors. eta vs tors. theta energy: 5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1142.617311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.617311 (E_RNA) where: Base-Base interactions energy: -795.886 where: short stacking energy: -306.766 Base-Backbone interact. energy: -2.724 local terms energy: -344.007565 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -55.779 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -102.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1110.028572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.028572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.028572 (E_RNA) where: Base-Base interactions energy: -777.949 where: short stacking energy: -332.496 Base-Backbone interact. energy: -1.141 local terms energy: -330.938412 where: bonds (distance) C4'-P energy: -55.008 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -71.692 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -95.468 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: 62 Temperature: 1.000000 Total energy: -1026.920746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.920746 (E_RNA) where: Base-Base interactions energy: -709.712 where: short stacking energy: -307.718 Base-Backbone interact. energy: -2.096 local terms energy: -315.112858 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: -78.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -933.054721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.054721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.054721 (E_RNA) where: Base-Base interactions energy: -644.724 where: short stacking energy: -269.058 Base-Backbone interact. energy: -1.161 local terms energy: -287.169148 where: bonds (distance) C4'-P energy: -59.698 bonds (distance) P-C4' energy: -61.628 flat angles C4'-P-C4' energy: -59.643 flat angles P-C4'-P energy: -29.226 tors. eta vs tors. theta energy: -76.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -830.991977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.991977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.991977 (E_RNA) where: Base-Base interactions energy: -567.453 where: short stacking energy: -218.717 Base-Backbone interact. energy: -2.749 local terms energy: -260.790154 where: bonds (distance) C4'-P energy: -56.143 bonds (distance) P-C4' energy: -45.352 flat angles C4'-P-C4' energy: -62.176 flat angles P-C4'-P energy: -37.632 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: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -662.038428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.038428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.038428 (E_RNA) where: Base-Base interactions energy: -393.182 where: short stacking energy: -186.609 Base-Backbone interact. energy: -0.267 local terms energy: -268.589054 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -63.610 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -26.533 tors. eta vs tors. theta energy: -48.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -558.009295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.009295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.009295 (E_RNA) where: Base-Base interactions energy: -333.881 where: short stacking energy: -167.741 Base-Backbone interact. energy: 5.446 local terms energy: -229.574339 where: bonds (distance) C4'-P energy: -46.157 bonds (distance) P-C4' energy: -67.980 flat angles C4'-P-C4' energy: -56.952 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -22.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -489.344747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.344747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.344747 (E_RNA) where: Base-Base interactions energy: -290.905 where: short stacking energy: -156.789 Base-Backbone interact. energy: 2.283 local terms energy: -200.722933 where: bonds (distance) C4'-P energy: -40.178 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -28.129 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -319.900799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.900799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.900799 (E_RNA) where: Base-Base interactions energy: -133.904 where: short stacking energy: -105.133 Base-Backbone interact. energy: -0.915 local terms energy: -185.081837 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -58.895 flat angles C4'-P-C4' energy: -33.246 flat angles P-C4'-P energy: -32.024 tors. eta vs tors. theta energy: 4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -263.836318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.836318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.836318 (E_RNA) where: Base-Base interactions energy: -87.380 where: short stacking energy: -78.761 Base-Backbone interact. energy: 5.452 local terms energy: -181.907854 where: bonds (distance) C4'-P energy: -51.725 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -44.776 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: 13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1145.963524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.963524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.963524 (E_RNA) where: Base-Base interactions energy: -816.996 where: short stacking energy: -321.004 Base-Backbone interact. energy: -0.637 local terms energy: -328.331510 where: bonds (distance) C4'-P energy: -53.555 bonds (distance) P-C4' energy: -63.514 flat angles C4'-P-C4' energy: -63.045 flat angles P-C4'-P energy: -47.144 tors. eta vs tors. theta energy: -101.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1100.244850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.244850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.244850 (E_RNA) where: Base-Base interactions energy: -758.957 where: short stacking energy: -309.297 Base-Backbone interact. energy: -1.682 local terms energy: -339.605876 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -62.431 flat angles C4'-P-C4' energy: -62.939 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -94.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1060.790397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.790397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.790397 (E_RNA) where: Base-Base interactions energy: -713.214 where: short stacking energy: -308.594 Base-Backbone interact. energy: -0.665 local terms energy: -346.912053 where: bonds (distance) C4'-P energy: -71.421 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -71.892 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -92.881 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: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -879.008093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.008093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.008093 (E_RNA) where: Base-Base interactions energy: -560.440 where: short stacking energy: -237.846 Base-Backbone interact. energy: -2.021 local terms energy: -316.547664 where: bonds (distance) C4'-P energy: -68.974 bonds (distance) P-C4' energy: -72.565 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -32.558 tors. eta vs tors. theta energy: -75.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -884.688013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.688013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.688013 (E_RNA) where: Base-Base interactions energy: -597.798 where: short stacking energy: -252.613 Base-Backbone interact. energy: 1.904 local terms energy: -288.793937 where: bonds (distance) C4'-P energy: -52.112 bonds (distance) P-C4' energy: -68.219 flat angles C4'-P-C4' energy: -53.215 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -69.000 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: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -671.057642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.057642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.057642 (E_RNA) where: Base-Base interactions energy: -413.074 where: short stacking energy: -197.051 Base-Backbone interact. energy: 0.103 local terms energy: -258.087468 where: bonds (distance) C4'-P energy: -60.061 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -53.269 flat angles P-C4'-P energy: -37.221 tors. eta vs tors. theta energy: -44.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -634.002742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.002742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.002742 (E_RNA) where: Base-Base interactions energy: -411.289 where: short stacking energy: -201.400 Base-Backbone interact. energy: 0.065 local terms energy: -222.778957 where: bonds (distance) C4'-P energy: -43.893 bonds (distance) P-C4' energy: -50.984 flat angles C4'-P-C4' energy: -48.650 flat angles P-C4'-P energy: -31.952 tors. eta vs tors. theta energy: -47.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -588.874068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.874068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.874068 (E_RNA) where: Base-Base interactions energy: -360.108 where: short stacking energy: -173.648 Base-Backbone interact. energy: -2.831 local terms energy: -225.935017 where: bonds (distance) C4'-P energy: -67.744 bonds (distance) P-C4' energy: -50.315 flat angles C4'-P-C4' energy: -53.076 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -19.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -323.048476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.048476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.048476 (E_RNA) where: Base-Base interactions energy: -132.215 where: short stacking energy: -106.525 Base-Backbone interact. energy: -1.138 local terms energy: -189.695396 where: bonds (distance) C4'-P energy: -58.055 bonds (distance) P-C4' energy: -45.943 flat angles C4'-P-C4' energy: -51.148 flat angles P-C4'-P energy: -22.339 tors. eta vs tors. theta energy: -12.210 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: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -275.700974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.700974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.700974 (E_RNA) where: Base-Base interactions energy: -107.214 where: short stacking energy: -92.412 Base-Backbone interact. energy: 6.512 local terms energy: -174.999447 where: bonds (distance) C4'-P energy: -51.392 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -49.516 flat angles P-C4'-P energy: -18.279 tors. eta vs tors. theta energy: 2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1136.931914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.931914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.931914 (E_RNA) where: Base-Base interactions energy: -775.519 where: short stacking energy: -335.702 Base-Backbone interact. energy: -2.070 local terms energy: -359.342357 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -66.488 flat angles C4'-P-C4' energy: -68.955 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -99.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1106.839950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.839950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.839950 (E_RNA) where: Base-Base interactions energy: -781.667 where: short stacking energy: -308.700 Base-Backbone interact. energy: -2.128 local terms energy: -323.045240 where: bonds (distance) C4'-P energy: -61.675 bonds (distance) P-C4' energy: -58.079 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -90.780 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: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1040.810891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.810891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.810891 (E_RNA) where: Base-Base interactions energy: -719.835 where: short stacking energy: -316.757 Base-Backbone interact. energy: -0.319 local terms energy: -320.657076 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -60.532 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -40.374 tors. eta vs tors. theta energy: -88.249 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: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -942.398348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.398348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.398348 (E_RNA) where: Base-Base interactions energy: -616.752 where: short stacking energy: -264.663 Base-Backbone interact. energy: -3.672 local terms energy: -321.974603 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -63.488 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -50.027 tors. eta vs tors. theta energy: -69.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -872.485982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.485982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.485982 (E_RNA) where: Base-Base interactions energy: -610.060 where: short stacking energy: -248.570 Base-Backbone interact. energy: 1.812 local terms energy: -264.237808 where: bonds (distance) C4'-P energy: -56.847 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -52.983 flat angles P-C4'-P energy: -40.726 tors. eta vs tors. theta energy: -56.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -731.300921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.300921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.300921 (E_RNA) where: Base-Base interactions energy: -464.522 where: short stacking energy: -219.539 Base-Backbone interact. energy: 3.181 local terms energy: -269.960141 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -55.257 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -63.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -704.185554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.185554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.185554 (E_RNA) where: Base-Base interactions energy: -427.443 where: short stacking energy: -190.567 Base-Backbone interact. energy: 0.206 local terms energy: -276.949072 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -69.388 flat angles C4'-P-C4' energy: -61.226 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -36.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -540.978391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.978391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.978391 (E_RNA) where: Base-Base interactions energy: -322.463 where: short stacking energy: -145.300 Base-Backbone interact. energy: -1.920 local terms energy: -216.595514 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -56.313 flat angles P-C4'-P energy: -22.911 tors. eta vs tors. theta energy: -22.310 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: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -303.907584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.907584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.907584 (E_RNA) where: Base-Base interactions energy: -135.986 where: short stacking energy: -101.991 Base-Backbone interact. energy: -0.731 local terms energy: -167.190500 where: bonds (distance) C4'-P energy: -51.528 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -44.335 flat angles P-C4'-P energy: -22.191 tors. eta vs tors. theta energy: 7.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -265.185218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.185218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.185218 (E_RNA) where: Base-Base interactions energy: -79.821 where: short stacking energy: -75.519 Base-Backbone interact. energy: -1.602 local terms energy: -183.762397 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -43.627 flat angles P-C4'-P energy: -31.040 tors. eta vs tors. theta energy: 2.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1139.718049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.718049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.718049 (E_RNA) where: Base-Base interactions energy: -790.284 where: short stacking energy: -323.416 Base-Backbone interact. energy: -3.551 local terms energy: -345.883172 where: bonds (distance) C4'-P energy: -63.953 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -68.879 flat angles P-C4'-P energy: -51.957 tors. eta vs tors. theta energy: -95.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1062.908250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.908250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.908250 (E_RNA) where: Base-Base interactions energy: -730.075 where: short stacking energy: -295.235 Base-Backbone interact. energy: -1.329 local terms energy: -331.504819 where: bonds (distance) C4'-P energy: -65.345 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -66.061 flat angles P-C4'-P energy: -48.894 tors. eta vs tors. theta energy: -82.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1069.785787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.785787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.785787 (E_RNA) where: Base-Base interactions energy: -737.196 where: short stacking energy: -311.472 Base-Backbone interact. energy: 0.494 local terms energy: -333.083299 where: bonds (distance) C4'-P energy: -60.973 bonds (distance) P-C4' energy: -64.259 flat angles C4'-P-C4' energy: -73.227 flat angles P-C4'-P energy: -43.369 tors. eta vs tors. theta energy: -91.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -947.867407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.867407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.867407 (E_RNA) where: Base-Base interactions energy: -633.356 where: short stacking energy: -277.031 Base-Backbone interact. energy: -2.584 local terms energy: -311.926582 where: bonds (distance) C4'-P energy: -68.460 bonds (distance) P-C4' energy: -56.455 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -69.400 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: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -896.780378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.780378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.780378 (E_RNA) where: Base-Base interactions energy: -605.044 where: short stacking energy: -240.959 Base-Backbone interact. energy: 3.684 local terms energy: -295.420531 where: bonds (distance) C4'-P energy: -55.380 bonds (distance) P-C4' energy: -59.540 flat angles C4'-P-C4' energy: -64.451 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -73.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -700.780205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.780205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.780205 (E_RNA) where: Base-Base interactions energy: -444.713 where: short stacking energy: -217.712 Base-Backbone interact. energy: -3.502 local terms energy: -252.565631 where: bonds (distance) C4'-P energy: -53.784 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -60.675 flat angles P-C4'-P energy: -18.298 tors. eta vs tors. theta energy: -56.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -763.674481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.674481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.674481 (E_RNA) where: Base-Base interactions energy: -483.987 where: short stacking energy: -207.992 Base-Backbone interact. energy: -3.014 local terms energy: -276.674095 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -68.762 flat angles C4'-P-C4' energy: -58.258 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -51.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -521.166361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.166361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.166361 (E_RNA) where: Base-Base interactions energy: -318.109 where: short stacking energy: -156.655 Base-Backbone interact. energy: -0.056 local terms energy: -203.001665 where: bonds (distance) C4'-P energy: -52.133 bonds (distance) P-C4' energy: -51.765 flat angles C4'-P-C4' energy: -45.706 flat angles P-C4'-P energy: -30.727 tors. eta vs tors. theta energy: -22.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -311.440359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.440359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.440359 (E_RNA) where: Base-Base interactions energy: -140.705 where: short stacking energy: -90.468 Base-Backbone interact. energy: 7.243 local terms energy: -177.978414 where: bonds (distance) C4'-P energy: -52.527 bonds (distance) P-C4' energy: -53.926 flat angles C4'-P-C4' energy: -36.666 flat angles P-C4'-P energy: -42.699 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: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -269.262900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.262900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.262900 (E_RNA) where: Base-Base interactions energy: -87.309 where: short stacking energy: -71.741 Base-Backbone interact. energy: -0.263 local terms energy: -181.690662 where: bonds (distance) C4'-P energy: -56.658 bonds (distance) P-C4' energy: -52.822 flat angles C4'-P-C4' energy: -43.082 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: 2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1142.159511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.159511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.159511 (E_RNA) where: Base-Base interactions energy: -780.662 where: short stacking energy: -313.796 Base-Backbone interact. energy: -0.563 local terms energy: -360.934498 where: bonds (distance) C4'-P energy: -75.642 bonds (distance) P-C4' energy: -66.557 flat angles C4'-P-C4' energy: -69.965 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -100.984 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: 66 Temperature: 0.950000 Total energy: -1050.163309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.163309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.163309 (E_RNA) where: Base-Base interactions energy: -717.838 where: short stacking energy: -293.369 Base-Backbone interact. energy: 0.712 local terms energy: -333.037014 where: bonds (distance) C4'-P energy: -61.412 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -62.713 flat angles P-C4'-P energy: -53.172 tors. eta vs tors. theta energy: -86.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1069.930959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.930959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.930959 (E_RNA) where: Base-Base interactions energy: -739.563 where: short stacking energy: -298.850 Base-Backbone interact. energy: -0.770 local terms energy: -329.597995 where: bonds (distance) C4'-P energy: -62.956 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -68.328 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -90.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -958.719255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.719255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.719255 (E_RNA) where: Base-Base interactions energy: -664.250 where: short stacking energy: -265.253 Base-Backbone interact. energy: -1.599 local terms energy: -292.870096 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -57.105 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -39.745 tors. eta vs tors. theta energy: -69.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -852.089251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.089251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.089251 (E_RNA) where: Base-Base interactions energy: -568.388 where: short stacking energy: -236.187 Base-Backbone interact. energy: 0.811 local terms energy: -284.512103 where: bonds (distance) C4'-P energy: -59.500 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -62.389 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -63.737 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: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -708.045390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.045390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.045390 (E_RNA) where: Base-Base interactions energy: -435.729 where: short stacking energy: -211.807 Base-Backbone interact. energy: -0.475 local terms energy: -271.841546 where: bonds (distance) C4'-P energy: -59.093 bonds (distance) P-C4' energy: -62.734 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -32.087 tors. eta vs tors. theta energy: -51.044 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: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -722.366086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.366086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.366086 (E_RNA) where: Base-Base interactions energy: -475.116 where: short stacking energy: -192.198 Base-Backbone interact. energy: -0.899 local terms energy: -246.351431 where: bonds (distance) C4'-P energy: -54.541 bonds (distance) P-C4' energy: -53.668 flat angles C4'-P-C4' energy: -61.980 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -39.786 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: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -483.868011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.868011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.868011 (E_RNA) where: Base-Base interactions energy: -261.691 where: short stacking energy: -125.529 Base-Backbone interact. energy: 0.258 local terms energy: -222.434467 where: bonds (distance) C4'-P energy: -51.054 bonds (distance) P-C4' energy: -64.752 flat angles C4'-P-C4' energy: -54.714 flat angles P-C4'-P energy: -36.729 tors. eta vs tors. theta energy: -15.185 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: 66 Temperature: 1.300000 Total energy: -339.633694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.633694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.633694 (E_RNA) where: Base-Base interactions energy: -148.855 where: short stacking energy: -93.073 Base-Backbone interact. energy: -2.071 local terms energy: -188.708153 where: bonds (distance) C4'-P energy: -55.825 bonds (distance) P-C4' energy: -66.359 flat angles C4'-P-C4' energy: -41.968 flat angles P-C4'-P energy: -24.160 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -288.243354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.243354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.243354 (E_RNA) where: Base-Base interactions energy: -110.328 where: short stacking energy: -85.507 Base-Backbone interact. energy: 0.228 local terms energy: -178.143158 where: bonds (distance) C4'-P energy: -51.754 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -43.814 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: 8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1159.109698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.109698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.109698 (E_RNA) where: Base-Base interactions energy: -789.662 where: short stacking energy: -322.254 Base-Backbone interact. energy: 0.220 local terms energy: -369.667292 where: bonds (distance) C4'-P energy: -71.678 bonds (distance) P-C4' energy: -73.200 flat angles C4'-P-C4' energy: -69.020 flat angles P-C4'-P energy: -59.370 tors. eta vs tors. theta energy: -96.400 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: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1103.371424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.371424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.371424 (E_RNA) where: Base-Base interactions energy: -765.528 where: short stacking energy: -314.611 Base-Backbone interact. energy: 0.430 local terms energy: -338.273558 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: -90.789 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: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1003.044667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.044667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.044667 (E_RNA) where: Base-Base interactions energy: -674.366 where: short stacking energy: -289.515 Base-Backbone interact. energy: -1.453 local terms energy: -327.225661 where: bonds (distance) C4'-P energy: -63.366 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -74.265 flat angles P-C4'-P energy: -46.865 tors. eta vs tors. theta energy: -80.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -962.843967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.843967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.843967 (E_RNA) where: Base-Base interactions energy: -665.112 where: short stacking energy: -272.714 Base-Backbone interact. energy: 1.255 local terms energy: -298.987339 where: bonds (distance) C4'-P energy: -52.094 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -60.733 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: -77.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -853.511069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.511069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.511069 (E_RNA) where: Base-Base interactions energy: -557.839 where: short stacking energy: -226.449 Base-Backbone interact. energy: -1.290 local terms energy: -294.381451 where: bonds (distance) C4'-P energy: -63.473 bonds (distance) P-C4' energy: -68.697 flat angles C4'-P-C4' energy: -59.532 flat angles P-C4'-P energy: -39.867 tors. eta vs tors. theta energy: -62.813 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: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -732.737124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.737124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.737124 (E_RNA) where: Base-Base interactions energy: -472.456 where: short stacking energy: -228.963 Base-Backbone interact. energy: 0.800 local terms energy: -261.081197 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -61.028 flat angles C4'-P-C4' energy: -55.542 flat angles P-C4'-P energy: -30.961 tors. eta vs tors. theta energy: -60.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -674.182845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.182845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.182845 (E_RNA) where: Base-Base interactions energy: -423.031 where: short stacking energy: -200.257 Base-Backbone interact. energy: 0.648 local terms energy: -251.799115 where: bonds (distance) C4'-P energy: -57.521 bonds (distance) P-C4' energy: -61.923 flat angles C4'-P-C4' energy: -62.536 flat angles P-C4'-P energy: -36.506 tors. eta vs tors. theta energy: -33.314 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: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -494.331593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.331593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.331593 (E_RNA) where: Base-Base interactions energy: -269.387 where: short stacking energy: -137.867 Base-Backbone interact. energy: -0.638 local terms energy: -224.306092 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -62.642 flat angles C4'-P-C4' energy: -50.198 flat angles P-C4'-P energy: -29.407 tors. eta vs tors. theta energy: -21.928 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: 67 Temperature: 1.300000 Total energy: -334.157537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.157537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.157537 (E_RNA) where: Base-Base interactions energy: -152.719 where: short stacking energy: -109.685 Base-Backbone interact. energy: -2.003 local terms energy: -179.435822 where: bonds (distance) C4'-P energy: -55.295 bonds (distance) P-C4' energy: -39.266 flat angles C4'-P-C4' energy: -53.781 flat angles P-C4'-P energy: -28.449 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: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -288.292243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.292243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.292243 (E_RNA) where: Base-Base interactions energy: -100.329 where: short stacking energy: -86.375 Base-Backbone interact. energy: -0.887 local terms energy: -187.076777 where: bonds (distance) C4'-P energy: -46.883 bonds (distance) P-C4' energy: -58.772 flat angles C4'-P-C4' energy: -41.866 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: -2.914 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: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1143.535558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.535558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.535558 (E_RNA) where: Base-Base interactions energy: -787.574 where: short stacking energy: -323.317 Base-Backbone interact. energy: -1.008 local terms energy: -354.953728 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -67.472 flat angles C4'-P-C4' energy: -75.289 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -96.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1108.935528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.935528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.935528 (E_RNA) where: Base-Base interactions energy: -768.927 where: short stacking energy: -316.918 Base-Backbone interact. energy: -1.468 local terms energy: -338.540876 where: bonds (distance) C4'-P energy: -56.896 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -95.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -977.086668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.086668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.086668 (E_RNA) where: Base-Base interactions energy: -663.239 where: short stacking energy: -280.171 Base-Backbone interact. energy: -1.728 local terms energy: -312.119461 where: bonds (distance) C4'-P energy: -63.808 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -59.527 flat angles P-C4'-P energy: -44.405 tors. eta vs tors. theta energy: -74.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1028.144830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.144830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.144830 (E_RNA) where: Base-Base interactions energy: -699.506 where: short stacking energy: -286.348 Base-Backbone interact. energy: 1.614 local terms energy: -330.253289 where: bonds (distance) C4'-P energy: -62.702 bonds (distance) P-C4' energy: -60.683 flat angles C4'-P-C4' energy: -66.868 flat angles P-C4'-P energy: -53.307 tors. eta vs tors. theta energy: -86.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -930.134372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.134372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.134372 (E_RNA) where: Base-Base interactions energy: -631.135 where: short stacking energy: -269.898 Base-Backbone interact. energy: -3.298 local terms energy: -295.701467 where: bonds (distance) C4'-P energy: -61.184 bonds (distance) P-C4' energy: -54.019 flat angles C4'-P-C4' energy: -67.979 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -73.664 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -728.011094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.011094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.011094 (E_RNA) where: Base-Base interactions energy: -472.380 where: short stacking energy: -216.706 Base-Backbone interact. energy: -0.847 local terms energy: -254.784244 where: bonds (distance) C4'-P energy: -54.017 bonds (distance) P-C4' energy: -54.526 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -30.236 tors. eta vs tors. theta energy: -60.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -687.520653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.520653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.520653 (E_RNA) where: Base-Base interactions energy: -436.604 where: short stacking energy: -203.893 Base-Backbone interact. energy: 0.042 local terms energy: -250.958876 where: bonds (distance) C4'-P energy: -48.908 bonds (distance) P-C4' energy: -60.174 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -28.754 tors. eta vs tors. theta energy: -45.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -514.206070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.206070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.206070 (E_RNA) where: Base-Base interactions energy: -303.359 where: short stacking energy: -164.602 Base-Backbone interact. energy: -0.762 local terms energy: -210.085459 where: bonds (distance) C4'-P energy: -43.593 bonds (distance) P-C4' energy: -54.585 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -28.707 tors. eta vs tors. theta energy: -24.934 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: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -278.974880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.974880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.974880 (E_RNA) where: Base-Base interactions energy: -97.023 where: short stacking energy: -85.420 Base-Backbone interact. energy: 0.271 local terms energy: -182.223357 where: bonds (distance) C4'-P energy: -57.748 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -42.948 flat angles P-C4'-P energy: -34.528 tors. eta vs tors. theta energy: 12.619 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: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -287.630266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.630266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.630266 (E_RNA) where: Base-Base interactions energy: -124.712 where: short stacking energy: -76.931 Base-Backbone interact. energy: 1.522 local terms energy: -164.439476 where: bonds (distance) C4'-P energy: -50.044 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -44.414 flat angles P-C4'-P energy: -30.496 tors. eta vs tors. theta energy: 15.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1141.312219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.312219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.312219 (E_RNA) where: Base-Base interactions energy: -784.887 where: short stacking energy: -317.807 Base-Backbone interact. energy: 0.076 local terms energy: -356.501447 where: bonds (distance) C4'-P energy: -71.193 bonds (distance) P-C4' energy: -68.863 flat angles C4'-P-C4' energy: -68.377 flat angles P-C4'-P energy: -54.109 tors. eta vs tors. theta energy: -93.959 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: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1098.063239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.063239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.063239 (E_RNA) where: Base-Base interactions energy: -772.309 where: short stacking energy: -333.332 Base-Backbone interact. energy: -0.488 local terms energy: -325.266452 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -55.231 flat angles C4'-P-C4' energy: -76.064 flat angles P-C4'-P energy: -39.070 tors. eta vs tors. theta energy: -94.619 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: 9 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -978.950022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.950022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.950022 (E_RNA) where: Base-Base interactions energy: -662.245 where: short stacking energy: -270.327 Base-Backbone interact. energy: -0.943 local terms energy: -315.762369 where: bonds (distance) C4'-P energy: -64.003 bonds (distance) P-C4' energy: -56.485 flat angles C4'-P-C4' energy: -70.192 flat angles P-C4'-P energy: -41.900 tors. eta vs tors. theta energy: -83.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1007.124081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.124081 (E_RNA) where: Base-Base interactions energy: -703.735 where: short stacking energy: -290.257 Base-Backbone interact. energy: -0.980 local terms energy: -302.408708 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -53.828 flat angles C4'-P-C4' energy: -60.545 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -83.460 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -953.861054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.861054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.861054 (E_RNA) where: Base-Base interactions energy: -639.278 where: short stacking energy: -272.484 Base-Backbone interact. energy: -2.548 local terms energy: -312.034248 where: bonds (distance) C4'-P energy: -61.928 bonds (distance) P-C4' energy: -57.688 flat angles C4'-P-C4' energy: -69.397 flat angles P-C4'-P energy: -39.770 tors. eta vs tors. theta energy: -83.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -747.169912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.169912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.169912 (E_RNA) where: Base-Base interactions energy: -479.967 where: short stacking energy: -223.876 Base-Backbone interact. energy: -0.229 local terms energy: -266.973959 where: bonds (distance) C4'-P energy: -56.951 bonds (distance) P-C4' energy: -51.647 flat angles C4'-P-C4' energy: -65.728 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -57.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -655.624905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.624905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.624905 (E_RNA) where: Base-Base interactions energy: -416.585 where: short stacking energy: -198.288 Base-Backbone interact. energy: -1.898 local terms energy: -237.142674 where: bonds (distance) C4'-P energy: -45.032 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -55.526 flat angles P-C4'-P energy: -36.869 tors. eta vs tors. theta energy: -45.813 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: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -513.373679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.373679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.373679 (E_RNA) where: Base-Base interactions energy: -304.662 where: short stacking energy: -143.550 Base-Backbone interact. energy: -0.916 local terms energy: -207.795288 where: bonds (distance) C4'-P energy: -57.283 bonds (distance) P-C4' energy: -48.184 flat angles C4'-P-C4' energy: -49.366 flat angles P-C4'-P energy: -38.129 tors. eta vs tors. theta energy: -14.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -339.205092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.205092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.205092 (E_RNA) where: Base-Base interactions energy: -130.758 where: short stacking energy: -105.467 Base-Backbone interact. energy: 2.416 local terms energy: -210.862864 where: bonds (distance) C4'-P energy: -64.064 bonds (distance) P-C4' energy: -64.987 flat angles C4'-P-C4' energy: -37.623 flat angles P-C4'-P energy: -39.026 tors. eta vs tors. theta energy: -5.163 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: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -311.759006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.759006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.759006 (E_RNA) where: Base-Base interactions energy: -142.870 where: short stacking energy: -101.448 Base-Backbone interact. energy: -2.205 local terms energy: -166.684754 where: bonds (distance) C4'-P energy: -57.046 bonds (distance) P-C4' energy: -53.978 flat angles C4'-P-C4' energy: -46.997 flat angles P-C4'-P energy: -19.028 tors. eta vs tors. theta energy: 10.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1148.627597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.627597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.627597 (E_RNA) where: Base-Base interactions energy: -788.703 where: short stacking energy: -320.166 Base-Backbone interact. energy: -0.469 local terms energy: -359.455567 where: bonds (distance) C4'-P energy: -72.892 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -76.533 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: -99.038 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1094.129523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.129523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.129523 (E_RNA) where: Base-Base interactions energy: -749.100 where: short stacking energy: -312.281 Base-Backbone interact. energy: -1.204 local terms energy: -343.824957 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -65.966 flat angles C4'-P-C4' energy: -77.992 flat angles P-C4'-P energy: -46.376 tors. eta vs tors. theta energy: -90.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1004.698269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.698269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.698269 (E_RNA) where: Base-Base interactions energy: -685.810 where: short stacking energy: -308.410 Base-Backbone interact. energy: -1.047 local terms energy: -317.841357 where: bonds (distance) C4'-P energy: -64.832 bonds (distance) P-C4' energy: -54.829 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -84.738 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: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -942.888265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.888265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.888265 (E_RNA) where: Base-Base interactions energy: -642.382 where: short stacking energy: -271.311 Base-Backbone interact. energy: -1.895 local terms energy: -298.611333 where: bonds (distance) C4'-P energy: -59.468 bonds (distance) P-C4' energy: -68.760 flat angles C4'-P-C4' energy: -55.147 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: -74.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -881.981415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.981415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.981415 (E_RNA) where: Base-Base interactions energy: -583.139 where: short stacking energy: -249.174 Base-Backbone interact. energy: -0.996 local terms energy: -297.845814 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -61.615 flat angles C4'-P-C4' energy: -66.251 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -70.331 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: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -742.065891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.065891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.065891 (E_RNA) where: Base-Base interactions energy: -483.360 where: short stacking energy: -221.939 Base-Backbone interact. energy: -0.265 local terms energy: -258.440581 where: bonds (distance) C4'-P energy: -55.664 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -60.306 flat angles P-C4'-P energy: -33.228 tors. eta vs tors. theta energy: -46.263 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: 7, replica: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -687.609539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.609539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.609539 (E_RNA) where: Base-Base interactions energy: -441.430 where: short stacking energy: -202.571 Base-Backbone interact. energy: -1.022 local terms energy: -245.157401 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -52.392 flat angles C4'-P-C4' energy: -46.338 flat angles P-C4'-P energy: -32.921 tors. eta vs tors. theta energy: -48.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -508.754098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.754098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.754098 (E_RNA) where: Base-Base interactions energy: -284.345 where: short stacking energy: -148.101 Base-Backbone interact. energy: -1.630 local terms energy: -222.779056 where: bonds (distance) C4'-P energy: -60.563 bonds (distance) P-C4' energy: -56.558 flat angles C4'-P-C4' energy: -51.224 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: -22.636 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: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -313.401679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.401679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.401679 (E_RNA) where: Base-Base interactions energy: -121.700 where: short stacking energy: -92.958 Base-Backbone interact. energy: 0.061 local terms energy: -191.763492 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -54.484 flat angles C4'-P-C4' energy: -48.168 flat angles P-C4'-P energy: -23.037 tors. eta vs tors. theta energy: -0.195 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: 2 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -257.441242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.441242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.441242 (E_RNA) where: Base-Base interactions energy: -81.859 where: short stacking energy: -71.809 Base-Backbone interact. energy: -0.808 local terms energy: -174.774524 where: bonds (distance) C4'-P energy: -49.228 bonds (distance) P-C4' energy: -63.763 flat angles C4'-P-C4' energy: -42.362 flat angles P-C4'-P energy: -24.382 tors. eta vs tors. theta energy: 4.960 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: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1137.687716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.687716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.687716 (E_RNA) where: Base-Base interactions energy: -764.049 where: short stacking energy: -301.798 Base-Backbone interact. energy: -1.044 local terms energy: -372.593951 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -51.125 tors. eta vs tors. theta energy: -98.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1101.932543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.932543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.932543 (E_RNA) where: Base-Base interactions energy: -752.115 where: short stacking energy: -321.494 Base-Backbone interact. energy: 0.390 local terms energy: -350.207649 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -69.715 flat angles C4'-P-C4' energy: -77.326 flat angles P-C4'-P energy: -52.682 tors. eta vs tors. theta energy: -99.494 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: 71 Temperature: 1.000000 Total energy: -1003.366098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.366098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.366098 (E_RNA) where: Base-Base interactions energy: -679.562 where: short stacking energy: -287.769 Base-Backbone interact. energy: -1.143 local terms energy: -322.660680 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -78.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -962.128280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.128280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.128280 (E_RNA) where: Base-Base interactions energy: -669.193 where: short stacking energy: -271.641 Base-Backbone interact. energy: -1.849 local terms energy: -291.085907 where: bonds (distance) C4'-P energy: -54.331 bonds (distance) P-C4' energy: -58.720 flat angles C4'-P-C4' energy: -67.956 flat angles P-C4'-P energy: -44.534 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: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -905.089891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.089891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.089891 (E_RNA) where: Base-Base interactions energy: -620.747 where: short stacking energy: -263.599 Base-Backbone interact. energy: 0.638 local terms energy: -284.980507 where: bonds (distance) C4'-P energy: -49.603 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -73.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -790.173264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.173264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.173264 (E_RNA) where: Base-Base interactions energy: -494.717 where: short stacking energy: -216.873 Base-Backbone interact. energy: 0.447 local terms energy: -295.903622 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -59.393 flat angles P-C4'-P energy: -46.823 tors. eta vs tors. theta energy: -67.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -695.677622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.677622 (E_RNA) where: Base-Base interactions energy: -442.389 where: short stacking energy: -215.234 Base-Backbone interact. energy: -1.445 local terms energy: -251.843653 where: bonds (distance) C4'-P energy: -42.084 bonds (distance) P-C4' energy: -54.572 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -52.295 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: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -528.740723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.740723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.740723 (E_RNA) where: Base-Base interactions energy: -308.048 where: short stacking energy: -143.502 Base-Backbone interact. energy: -0.398 local terms energy: -220.295338 where: bonds (distance) C4'-P energy: -41.411 bonds (distance) P-C4' energy: -65.542 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -22.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -313.882382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.882382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.882382 (E_RNA) where: Base-Base interactions energy: -122.329 where: short stacking energy: -73.963 Base-Backbone interact. energy: 0.935 local terms energy: -192.488441 where: bonds (distance) C4'-P energy: -50.108 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -43.114 flat angles P-C4'-P energy: -38.455 tors. eta vs tors. theta energy: 4.062 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: 2 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -255.058002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.058002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.058002 (E_RNA) where: Base-Base interactions energy: -87.221 where: short stacking energy: -61.825 Base-Backbone interact. energy: 1.538 local terms energy: -169.375498 where: bonds (distance) C4'-P energy: -50.001 bonds (distance) P-C4' energy: -49.511 flat angles C4'-P-C4' energy: -56.315 flat angles P-C4'-P energy: -30.232 tors. eta vs tors. theta energy: 16.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1131.965752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.965752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.965752 (E_RNA) where: Base-Base interactions energy: -767.256 where: short stacking energy: -309.382 Base-Backbone interact. energy: 0.996 local terms energy: -365.705398 where: bonds (distance) C4'-P energy: -73.309 bonds (distance) P-C4' energy: -71.944 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -93.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1137.211323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.211323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.211323 (E_RNA) where: Base-Base interactions energy: -788.312 where: short stacking energy: -337.201 Base-Backbone interact. energy: 3.230 local terms energy: -352.129553 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -69.523 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -99.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1017.242284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.242284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.242284 (E_RNA) where: Base-Base interactions energy: -692.568 where: short stacking energy: -264.101 Base-Backbone interact. energy: -2.205 local terms energy: -322.468921 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -69.175 flat angles P-C4'-P energy: -42.680 tors. eta vs tors. theta energy: -77.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -928.682947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.682947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.682947 (E_RNA) where: Base-Base interactions energy: -642.322 where: short stacking energy: -268.737 Base-Backbone interact. energy: -1.393 local terms energy: -284.968562 where: bonds (distance) C4'-P energy: -52.834 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -67.559 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -61.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -909.980899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.980899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.980899 (E_RNA) where: Base-Base interactions energy: -603.917 where: short stacking energy: -249.842 Base-Backbone interact. energy: -1.047 local terms energy: -305.016688 where: bonds (distance) C4'-P energy: -57.316 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -71.654 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: -72.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -813.131505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.131505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.131505 (E_RNA) where: Base-Base interactions energy: -523.755 where: short stacking energy: -221.503 Base-Backbone interact. energy: 1.222 local terms energy: -290.598361 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -60.170 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: 72 Temperature: 1.200000 Total energy: -634.666301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.666301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.666301 (E_RNA) where: Base-Base interactions energy: -400.184 where: short stacking energy: -195.986 Base-Backbone interact. energy: 5.894 local terms energy: -240.377257 where: bonds (distance) C4'-P energy: -43.612 bonds (distance) P-C4' energy: -58.895 flat angles C4'-P-C4' energy: -62.425 flat angles P-C4'-P energy: -32.448 tors. eta vs tors. theta energy: -42.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -496.505259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.505259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.505259 (E_RNA) where: Base-Base interactions energy: -270.073 where: short stacking energy: -130.191 Base-Backbone interact. energy: 0.226 local terms energy: -226.658676 where: bonds (distance) C4'-P energy: -55.216 bonds (distance) P-C4' energy: -54.465 flat angles C4'-P-C4' energy: -56.843 flat angles P-C4'-P energy: -32.968 tors. eta vs tors. theta energy: -27.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -307.070163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.070163 (E_RNA) where: Base-Base interactions energy: -127.479 where: short stacking energy: -92.170 Base-Backbone interact. energy: 0.426 local terms energy: -180.016663 where: bonds (distance) C4'-P energy: -52.551 bonds (distance) P-C4' energy: -53.699 flat angles C4'-P-C4' energy: -40.821 flat angles P-C4'-P energy: -37.448 tors. eta vs tors. theta energy: 4.503 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: 2 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -327.298916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.298916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.298916 (E_RNA) where: Base-Base interactions energy: -139.958 where: short stacking energy: -79.350 Base-Backbone interact. energy: 0.277 local terms energy: -187.618641 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -52.037 flat angles C4'-P-C4' energy: -52.288 flat angles P-C4'-P energy: -36.914 tors. eta vs tors. theta energy: 5.805 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: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1122.374661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.374661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.374661 (E_RNA) where: Base-Base interactions energy: -757.175 where: short stacking energy: -318.201 Base-Backbone interact. energy: -1.549 local terms energy: -363.649949 where: bonds (distance) C4'-P energy: -62.987 bonds (distance) P-C4' energy: -72.390 flat angles C4'-P-C4' energy: -74.630 flat angles P-C4'-P energy: -53.692 tors. eta vs tors. theta energy: -99.950 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: 7 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1130.747055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.747055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.747055 (E_RNA) where: Base-Base interactions energy: -793.608 where: short stacking energy: -324.306 Base-Backbone interact. energy: 0.436 local terms energy: -337.574214 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -95.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1030.627509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.627509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.627509 (E_RNA) where: Base-Base interactions energy: -693.942 where: short stacking energy: -291.955 Base-Backbone interact. energy: -1.480 local terms energy: -335.205827 where: bonds (distance) C4'-P energy: -65.653 bonds (distance) P-C4' energy: -65.021 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -51.468 tors. eta vs tors. theta energy: -80.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -973.024511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.024511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.024511 (E_RNA) where: Base-Base interactions energy: -656.893 where: short stacking energy: -286.738 Base-Backbone interact. energy: -2.730 local terms energy: -313.401579 where: bonds (distance) C4'-P energy: -53.913 bonds (distance) P-C4' energy: -62.364 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -82.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -880.685885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.685885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.685885 (E_RNA) where: Base-Base interactions energy: -602.497 where: short stacking energy: -248.538 Base-Backbone interact. energy: -1.453 local terms energy: -276.735636 where: bonds (distance) C4'-P energy: -65.903 bonds (distance) P-C4' energy: -55.575 flat angles C4'-P-C4' energy: -55.874 flat angles P-C4'-P energy: -33.575 tors. eta vs tors. theta energy: -65.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -796.446522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.446522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.446522 (E_RNA) where: Base-Base interactions energy: -523.459 where: short stacking energy: -223.841 Base-Backbone interact. energy: -0.742 local terms energy: -272.245086 where: bonds (distance) C4'-P energy: -51.738 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -57.589 flat angles P-C4'-P energy: -44.346 tors. eta vs tors. theta energy: -50.224 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: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -678.712312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.712312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.712312 (E_RNA) where: Base-Base interactions energy: -421.333 where: short stacking energy: -198.235 Base-Backbone interact. energy: -1.259 local terms energy: -256.120525 where: bonds (distance) C4'-P energy: -45.299 bonds (distance) P-C4' energy: -52.231 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -48.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -524.975121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.975121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.975121 (E_RNA) where: Base-Base interactions energy: -275.290 where: short stacking energy: -130.946 Base-Backbone interact. energy: 0.365 local terms energy: -250.049340 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -72.824 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -29.360 tors. eta vs tors. theta energy: -22.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -289.569407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.569407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.569407 (E_RNA) where: Base-Base interactions energy: -114.046 where: short stacking energy: -102.404 Base-Backbone interact. energy: -1.293 local terms energy: -174.230540 where: bonds (distance) C4'-P energy: -54.776 bonds (distance) P-C4' energy: -47.194 flat angles C4'-P-C4' energy: -47.763 flat angles P-C4'-P energy: -26.804 tors. eta vs tors. theta energy: 2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -332.186483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.186483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.186483 (E_RNA) where: Base-Base interactions energy: -126.971 where: short stacking energy: -113.992 Base-Backbone interact. energy: -1.284 local terms energy: -203.930891 where: bonds (distance) C4'-P energy: -60.855 bonds (distance) P-C4' energy: -47.410 flat angles C4'-P-C4' energy: -54.502 flat angles P-C4'-P energy: -38.140 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1140.540613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.540613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.540613 (E_RNA) where: Base-Base interactions energy: -774.215 where: short stacking energy: -333.646 Base-Backbone interact. energy: 0.027 local terms energy: -366.352860 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -65.070 flat angles C4'-P-C4' energy: -84.234 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: -97.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1085.770035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.770035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.770035 (E_RNA) where: Base-Base interactions energy: -751.133 where: short stacking energy: -320.866 Base-Backbone interact. energy: 1.625 local terms energy: -336.262056 where: bonds (distance) C4'-P energy: -64.262 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1025.924827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.924827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.924827 (E_RNA) where: Base-Base interactions energy: -698.312 where: short stacking energy: -290.474 Base-Backbone interact. energy: -1.485 local terms energy: -326.128622 where: bonds (distance) C4'-P energy: -61.236 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -73.711 flat angles P-C4'-P energy: -52.357 tors. eta vs tors. theta energy: -82.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -979.539571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.539571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.539571 (E_RNA) where: Base-Base interactions energy: -663.198 where: short stacking energy: -280.382 Base-Backbone interact. energy: -2.172 local terms energy: -314.169354 where: bonds (distance) C4'-P energy: -55.713 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -66.787 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -81.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -854.220083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.220083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.220083 (E_RNA) where: Base-Base interactions energy: -559.590 where: short stacking energy: -231.019 Base-Backbone interact. energy: -2.387 local terms energy: -292.243221 where: bonds (distance) C4'-P energy: -57.357 bonds (distance) P-C4' energy: -68.969 flat angles C4'-P-C4' energy: -63.678 flat angles P-C4'-P energy: -43.390 tors. eta vs tors. theta energy: -58.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -875.077843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.077843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.077843 (E_RNA) where: Base-Base interactions energy: -584.748 where: short stacking energy: -238.220 Base-Backbone interact. energy: -0.825 local terms energy: -289.504527 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -43.144 tors. eta vs tors. theta energy: -64.520 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: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -652.475374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.475374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.475374 (E_RNA) where: Base-Base interactions energy: -408.661 where: short stacking energy: -193.141 Base-Backbone interact. energy: -0.029 local terms energy: -243.785479 where: bonds (distance) C4'-P energy: -52.622 bonds (distance) P-C4' energy: -50.453 flat angles C4'-P-C4' energy: -58.866 flat angles P-C4'-P energy: -32.832 tors. eta vs tors. theta energy: -49.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -542.295740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.295740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.295740 (E_RNA) where: Base-Base interactions energy: -292.484 where: short stacking energy: -147.250 Base-Backbone interact. energy: 1.449 local terms energy: -251.261047 where: bonds (distance) C4'-P energy: -57.174 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -62.010 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -31.586 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: 74 Temperature: 1.300000 Total energy: -297.715049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.715049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.715049 (E_RNA) where: Base-Base interactions energy: -127.392 where: short stacking energy: -96.271 Base-Backbone interact. energy: 5.948 local terms energy: -176.270853 where: bonds (distance) C4'-P energy: -53.869 bonds (distance) P-C4' energy: -66.510 flat angles C4'-P-C4' energy: -43.880 flat angles P-C4'-P energy: -15.506 tors. eta vs tors. theta energy: 3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -268.471877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.471877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.471877 (E_RNA) where: Base-Base interactions energy: -80.329 where: short stacking energy: -66.999 Base-Backbone interact. energy: 1.886 local terms energy: -190.029489 where: bonds (distance) C4'-P energy: -45.990 bonds (distance) P-C4' energy: -71.013 flat angles C4'-P-C4' energy: -48.043 flat angles P-C4'-P energy: -34.897 tors. eta vs tors. theta energy: 9.914 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: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1134.687014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.687014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.687014 (E_RNA) where: Base-Base interactions energy: -804.548 where: short stacking energy: -316.121 Base-Backbone interact. energy: 3.630 local terms energy: -333.768964 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -100.816 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1100.915503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.915503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.915503 (E_RNA) where: Base-Base interactions energy: -743.729 where: short stacking energy: -317.326 Base-Backbone interact. energy: -0.616 local terms energy: -356.569871 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -73.674 flat angles C4'-P-C4' energy: -72.394 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -95.597 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: 75 Temperature: 1.000000 Total energy: -1006.943846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.943846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.943846 (E_RNA) where: Base-Base interactions energy: -691.024 where: short stacking energy: -285.173 Base-Backbone interact. energy: -0.029 local terms energy: -315.890643 where: bonds (distance) C4'-P energy: -51.286 bonds (distance) P-C4' energy: -67.950 flat angles C4'-P-C4' energy: -64.746 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -81.415 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: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -991.471434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.471434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.471434 (E_RNA) where: Base-Base interactions energy: -681.021 where: short stacking energy: -292.317 Base-Backbone interact. energy: 3.212 local terms energy: -313.662161 where: bonds (distance) C4'-P energy: -69.313 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -67.280 flat angles P-C4'-P energy: -27.327 tors. eta vs tors. theta energy: -87.155 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: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -864.650023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.650023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.650023 (E_RNA) where: Base-Base interactions energy: -597.906 where: short stacking energy: -231.873 Base-Backbone interact. energy: 0.472 local terms energy: -267.216413 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -59.427 flat angles P-C4'-P energy: -35.066 tors. eta vs tors. theta energy: -55.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -871.550073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.550073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.550073 (E_RNA) where: Base-Base interactions energy: -585.210 where: short stacking energy: -232.658 Base-Backbone interact. energy: 0.018 local terms energy: -286.358268 where: bonds (distance) C4'-P energy: -55.142 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -62.364 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: 75 Temperature: 1.200000 Total energy: -656.294072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.294072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.294072 (E_RNA) where: Base-Base interactions energy: -408.531 where: short stacking energy: -195.526 Base-Backbone interact. energy: 0.930 local terms energy: -248.692396 where: bonds (distance) C4'-P energy: -49.430 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -54.921 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -52.758 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: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -490.303784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.303784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.303784 (E_RNA) where: Base-Base interactions energy: -260.574 where: short stacking energy: -148.297 Base-Backbone interact. energy: -0.080 local terms energy: -229.650263 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -56.498 flat angles C4'-P-C4' energy: -58.809 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -20.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -305.063624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.063624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.063624 (E_RNA) where: Base-Base interactions energy: -110.649 where: short stacking energy: -92.611 Base-Backbone interact. energy: -0.651 local terms energy: -193.763825 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -62.675 flat angles C4'-P-C4' energy: -30.205 flat angles P-C4'-P energy: -33.821 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -272.306069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.306069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.306069 (E_RNA) where: Base-Base interactions energy: -116.007 where: short stacking energy: -79.098 Base-Backbone interact. energy: -0.592 local terms energy: -155.707389 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -55.108 flat angles C4'-P-C4' energy: -35.290 flat angles P-C4'-P energy: -33.538 tors. eta vs tors. theta energy: 22.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1154.098660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.098660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.098660 (E_RNA) where: Base-Base interactions energy: -801.995 where: short stacking energy: -317.060 Base-Backbone interact. energy: -1.843 local terms energy: -350.260324 where: bonds (distance) C4'-P energy: -61.241 bonds (distance) P-C4' energy: -64.141 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -101.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1100.276560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.276560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.276560 (E_RNA) where: Base-Base interactions energy: -756.559 where: short stacking energy: -321.902 Base-Backbone interact. energy: -1.311 local terms energy: -342.406565 where: bonds (distance) C4'-P energy: -61.437 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -49.376 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -989.567916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.567916 (E_RNA) where: Base-Base interactions energy: -669.434 where: short stacking energy: -254.959 Base-Backbone interact. energy: -0.275 local terms energy: -319.859034 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -53.078 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -49.572 tors. eta vs tors. theta energy: -76.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1010.128829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.128829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.128829 (E_RNA) where: Base-Base interactions energy: -681.593 where: short stacking energy: -285.227 Base-Backbone interact. energy: -1.793 local terms energy: -326.743238 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -65.426 flat angles C4'-P-C4' energy: -71.065 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -86.949 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: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -903.156456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.156456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.156456 (E_RNA) where: Base-Base interactions energy: -610.027 where: short stacking energy: -261.483 Base-Backbone interact. energy: 0.497 local terms energy: -293.626080 where: bonds (distance) C4'-P energy: -60.954 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -71.294 flat angles P-C4'-P energy: -36.752 tors. eta vs tors. theta energy: -70.742 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: 1 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -871.148572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.148572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.148572 (E_RNA) where: Base-Base interactions energy: -593.732 where: short stacking energy: -233.750 Base-Backbone interact. energy: 8.037 local terms energy: -285.453035 where: bonds (distance) C4'-P energy: -51.556 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -68.241 flat angles P-C4'-P energy: -35.062 tors. eta vs tors. theta energy: -56.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -678.959829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.959829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.959829 (E_RNA) where: Base-Base interactions energy: -392.487 where: short stacking energy: -193.164 Base-Backbone interact. energy: -0.546 local terms energy: -285.926969 where: bonds (distance) C4'-P energy: -66.168 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -43.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -476.880669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.880669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.880669 (E_RNA) where: Base-Base interactions energy: -258.274 where: short stacking energy: -116.361 Base-Backbone interact. energy: 0.153 local terms energy: -218.759301 where: bonds (distance) C4'-P energy: -49.696 bonds (distance) P-C4' energy: -61.727 flat angles C4'-P-C4' energy: -61.014 flat angles P-C4'-P energy: -29.479 tors. eta vs tors. theta energy: -16.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -313.310626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.310626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.310626 (E_RNA) where: Base-Base interactions energy: -121.659 where: short stacking energy: -105.277 Base-Backbone interact. energy: 2.912 local terms energy: -194.563829 where: bonds (distance) C4'-P energy: -52.562 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -44.695 flat angles P-C4'-P energy: -30.753 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -270.095140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.095140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.095140 (E_RNA) where: Base-Base interactions energy: -87.366 where: short stacking energy: -85.046 Base-Backbone interact. energy: 0.876 local terms energy: -183.605553 where: bonds (distance) C4'-P energy: -49.425 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -55.678 flat angles P-C4'-P energy: -25.965 tors. eta vs tors. theta energy: 8.384 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: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1168.402113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.402113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.402113 (E_RNA) where: Base-Base interactions energy: -800.325 where: short stacking energy: -330.232 Base-Backbone interact. energy: -4.139 local terms energy: -363.938374 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -64.894 flat angles C4'-P-C4' energy: -76.008 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -101.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1113.290894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.290894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.290894 (E_RNA) where: Base-Base interactions energy: -773.328 where: short stacking energy: -323.740 Base-Backbone interact. energy: -0.475 local terms energy: -339.488017 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -64.588 flat angles C4'-P-C4' energy: -63.264 flat angles P-C4'-P energy: -44.397 tors. eta vs tors. theta energy: -96.384 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: 77 Temperature: 1.000000 Total energy: -1000.756017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.756017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.756017 (E_RNA) where: Base-Base interactions energy: -684.438 where: short stacking energy: -282.330 Base-Backbone interact. energy: 1.570 local terms energy: -317.887906 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -68.340 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -80.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -989.867295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.867295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.867295 (E_RNA) where: Base-Base interactions energy: -648.138 where: short stacking energy: -279.460 Base-Backbone interact. energy: 0.185 local terms energy: -341.914174 where: bonds (distance) C4'-P energy: -70.865 bonds (distance) P-C4' energy: -65.001 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -83.521 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: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -899.275783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.275783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.275783 (E_RNA) where: Base-Base interactions energy: -609.411 where: short stacking energy: -253.473 Base-Backbone interact. energy: -0.003 local terms energy: -289.862520 where: bonds (distance) C4'-P energy: -60.790 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -60.331 flat angles P-C4'-P energy: -48.456 tors. eta vs tors. theta energy: -63.144 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: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -885.155555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.155555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.155555 (E_RNA) where: Base-Base interactions energy: -602.797 where: short stacking energy: -235.664 Base-Backbone interact. energy: 1.940 local terms energy: -284.298364 where: bonds (distance) C4'-P energy: -54.123 bonds (distance) P-C4' energy: -56.251 flat angles C4'-P-C4' energy: -68.452 flat angles P-C4'-P energy: -40.063 tors. eta vs tors. theta energy: -65.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -642.237608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.237608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.237608 (E_RNA) where: Base-Base interactions energy: -410.467 where: short stacking energy: -191.803 Base-Backbone interact. energy: -0.650 local terms energy: -231.120656 where: bonds (distance) C4'-P energy: -48.011 bonds (distance) P-C4' energy: -47.015 flat angles C4'-P-C4' energy: -65.556 flat angles P-C4'-P energy: -34.179 tors. eta vs tors. theta energy: -36.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -512.347136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.347136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.347136 (E_RNA) where: Base-Base interactions energy: -289.098 where: short stacking energy: -153.618 Base-Backbone interact. energy: -0.113 local terms energy: -223.136330 where: bonds (distance) C4'-P energy: -48.892 bonds (distance) P-C4' energy: -55.477 flat angles C4'-P-C4' energy: -56.474 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: -27.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -303.286569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.286569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.286569 (E_RNA) where: Base-Base interactions energy: -132.036 where: short stacking energy: -92.358 Base-Backbone interact. energy: -1.179 local terms energy: -170.071141 where: bonds (distance) C4'-P energy: -35.862 bonds (distance) P-C4' energy: -60.388 flat angles C4'-P-C4' energy: -43.065 flat angles P-C4'-P energy: -26.190 tors. eta vs tors. theta energy: -4.566 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: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -288.995888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.995888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.995888 (E_RNA) where: Base-Base interactions energy: -102.098 where: short stacking energy: -66.252 Base-Backbone interact. energy: -0.813 local terms energy: -186.084924 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -50.924 flat angles P-C4'-P energy: -28.322 tors. eta vs tors. theta energy: 9.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1130.421833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.421833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.421833 (E_RNA) where: Base-Base interactions energy: -769.641 where: short stacking energy: -321.474 Base-Backbone interact. energy: -0.193 local terms energy: -360.588442 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -75.289 flat angles P-C4'-P energy: -49.447 tors. eta vs tors. theta energy: -99.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1138.757025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.757025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.757025 (E_RNA) where: Base-Base interactions energy: -779.887 where: short stacking energy: -320.108 Base-Backbone interact. energy: -2.486 local terms energy: -356.383352 where: bonds (distance) C4'-P energy: -68.147 bonds (distance) P-C4' energy: -65.118 flat angles C4'-P-C4' energy: -76.140 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -97.751 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: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1000.988962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.988962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.988962 (E_RNA) where: Base-Base interactions energy: -706.783 where: short stacking energy: -278.844 Base-Backbone interact. energy: 2.306 local terms energy: -296.512511 where: bonds (distance) C4'-P energy: -58.894 bonds (distance) P-C4' energy: -51.861 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -44.563 tors. eta vs tors. theta energy: -73.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -975.501827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.501827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.501827 (E_RNA) where: Base-Base interactions energy: -660.565 where: short stacking energy: -290.084 Base-Backbone interact. energy: -1.894 local terms energy: -313.042337 where: bonds (distance) C4'-P energy: -51.287 bonds (distance) P-C4' energy: -55.822 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -46.825 tors. eta vs tors. theta energy: -87.179 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: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -901.562062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.562062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.562062 (E_RNA) where: Base-Base interactions energy: -615.417 where: short stacking energy: -256.173 Base-Backbone interact. energy: -0.886 local terms energy: -285.259930 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -60.165 flat angles C4'-P-C4' energy: -54.985 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -59.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -828.532539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.532539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.532539 (E_RNA) where: Base-Base interactions energy: -542.280 where: short stacking energy: -226.301 Base-Backbone interact. energy: -1.709 local terms energy: -284.543596 where: bonds (distance) C4'-P energy: -52.989 bonds (distance) P-C4' energy: -70.747 flat angles C4'-P-C4' energy: -63.847 flat angles P-C4'-P energy: -39.453 tors. eta vs tors. theta energy: -57.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -648.008300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.008300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.008300 (E_RNA) where: Base-Base interactions energy: -384.443 where: short stacking energy: -184.264 Base-Backbone interact. energy: -1.724 local terms energy: -261.841134 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -56.267 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -46.789 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: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -496.478490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.478490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.478490 (E_RNA) where: Base-Base interactions energy: -273.214 where: short stacking energy: -149.052 Base-Backbone interact. energy: -1.005 local terms energy: -222.259860 where: bonds (distance) C4'-P energy: -51.686 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -37.439 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -370.290563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.290563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.290563 (E_RNA) where: Base-Base interactions energy: -169.893 where: short stacking energy: -106.802 Base-Backbone interact. energy: -3.369 local terms energy: -197.028095 where: bonds (distance) C4'-P energy: -49.012 bonds (distance) P-C4' energy: -49.172 flat angles C4'-P-C4' energy: -56.411 flat angles P-C4'-P energy: -35.064 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -275.747522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.747522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.747522 (E_RNA) where: Base-Base interactions energy: -98.486 where: short stacking energy: -77.812 Base-Backbone interact. energy: -2.763 local terms energy: -174.498552 where: bonds (distance) C4'-P energy: -52.603 bonds (distance) P-C4' energy: -59.453 flat angles C4'-P-C4' energy: -41.794 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: 15.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1135.774374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.774374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.774374 (E_RNA) where: Base-Base interactions energy: -775.241 where: short stacking energy: -329.499 Base-Backbone interact. energy: -1.117 local terms energy: -359.416706 where: bonds (distance) C4'-P energy: -66.923 bonds (distance) P-C4' energy: -70.750 flat angles C4'-P-C4' energy: -71.381 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -103.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1119.871723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.871723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.871723 (E_RNA) where: Base-Base interactions energy: -767.668 where: short stacking energy: -312.846 Base-Backbone interact. energy: -2.771 local terms energy: -349.432262 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -68.001 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: -102.668 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: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -955.731020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.731020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.731020 (E_RNA) where: Base-Base interactions energy: -643.837 where: short stacking energy: -264.959 Base-Backbone interact. energy: -0.555 local terms energy: -311.339708 where: bonds (distance) C4'-P energy: -61.314 bonds (distance) P-C4' energy: -57.097 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -52.579 tors. eta vs tors. theta energy: -73.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -956.872077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.872077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.872077 (E_RNA) where: Base-Base interactions energy: -640.764 where: short stacking energy: -278.472 Base-Backbone interact. energy: -1.780 local terms energy: -314.328198 where: bonds (distance) C4'-P energy: -54.201 bonds (distance) P-C4' energy: -67.094 flat angles C4'-P-C4' energy: -66.535 flat angles P-C4'-P energy: -43.807 tors. eta vs tors. theta energy: -82.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -889.913249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.913249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.913249 (E_RNA) where: Base-Base interactions energy: -607.751 where: short stacking energy: -259.873 Base-Backbone interact. energy: -0.565 local terms energy: -281.597411 where: bonds (distance) C4'-P energy: -58.781 bonds (distance) P-C4' energy: -58.818 flat angles C4'-P-C4' energy: -59.786 flat angles P-C4'-P energy: -32.954 tors. eta vs tors. theta energy: -71.258 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: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -844.709059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.709059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.709059 (E_RNA) where: Base-Base interactions energy: -564.222 where: short stacking energy: -244.103 Base-Backbone interact. energy: 0.223 local terms energy: -280.709752 where: bonds (distance) C4'-P energy: -67.734 bonds (distance) P-C4' energy: -57.158 flat angles C4'-P-C4' energy: -59.029 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -55.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -598.229475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.229475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.229475 (E_RNA) where: Base-Base interactions energy: -364.490 where: short stacking energy: -174.309 Base-Backbone interact. energy: -0.504 local terms energy: -233.235889 where: bonds (distance) C4'-P energy: -56.011 bonds (distance) P-C4' energy: -65.325 flat angles C4'-P-C4' energy: -52.369 flat angles P-C4'-P energy: -27.905 tors. eta vs tors. theta energy: -31.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -485.107609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.107609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.107609 (E_RNA) where: Base-Base interactions energy: -254.908 where: short stacking energy: -136.107 Base-Backbone interact. energy: 0.477 local terms energy: -230.676516 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -46.976 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -20.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -385.595405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.595405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.595405 (E_RNA) where: Base-Base interactions energy: -186.450 where: short stacking energy: -122.576 Base-Backbone interact. energy: 4.324 local terms energy: -203.469448 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -25.299 tors. eta vs tors. theta energy: -8.445 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: 2 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -278.910987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.910987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.910987 (E_RNA) where: Base-Base interactions energy: -92.611 where: short stacking energy: -66.842 Base-Backbone interact. energy: -1.227 local terms energy: -185.072860 where: bonds (distance) C4'-P energy: -55.488 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -44.355 flat angles P-C4'-P energy: -37.475 tors. eta vs tors. theta energy: 12.959 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: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1152.505377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.505377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.505377 (E_RNA) where: Base-Base interactions energy: -793.235 where: short stacking energy: -323.547 Base-Backbone interact. energy: -1.310 local terms energy: -357.960027 where: bonds (distance) C4'-P energy: -65.394 bonds (distance) P-C4' energy: -63.348 flat angles C4'-P-C4' energy: -75.038 flat angles P-C4'-P energy: -55.791 tors. eta vs tors. theta energy: -98.388 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: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1115.406458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.406458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.406458 (E_RNA) where: Base-Base interactions energy: -749.573 where: short stacking energy: -327.049 Base-Backbone interact. energy: -1.937 local terms energy: -363.896629 where: bonds (distance) C4'-P energy: -69.810 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -72.516 flat angles P-C4'-P energy: -51.079 tors. eta vs tors. theta energy: -106.693 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: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -976.196732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.196732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.196732 (E_RNA) where: Base-Base interactions energy: -654.716 where: short stacking energy: -273.735 Base-Backbone interact. energy: -1.896 local terms energy: -319.584307 where: bonds (distance) C4'-P energy: -57.549 bonds (distance) P-C4' energy: -60.142 flat angles C4'-P-C4' energy: -72.868 flat angles P-C4'-P energy: -49.048 tors. eta vs tors. theta energy: -79.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -970.717876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.717876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.717876 (E_RNA) where: Base-Base interactions energy: -673.248 where: short stacking energy: -292.349 Base-Backbone interact. energy: -2.620 local terms energy: -294.849653 where: bonds (distance) C4'-P energy: -52.409 bonds (distance) P-C4' energy: -54.194 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -38.323 tors. eta vs tors. theta energy: -81.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -876.802525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.802525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.802525 (E_RNA) where: Base-Base interactions energy: -604.947 where: short stacking energy: -246.821 Base-Backbone interact. energy: -0.686 local terms energy: -271.169266 where: bonds (distance) C4'-P energy: -57.936 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -55.059 flat angles P-C4'-P energy: -32.411 tors. eta vs tors. theta energy: -63.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -865.496553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.496553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.496553 (E_RNA) where: Base-Base interactions energy: -577.490 where: short stacking energy: -221.906 Base-Backbone interact. energy: -1.040 local terms energy: -286.966821 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -54.399 flat angles C4'-P-C4' energy: -69.354 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -66.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -662.680571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.680571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.680571 (E_RNA) where: Base-Base interactions energy: -410.442 where: short stacking energy: -205.079 Base-Backbone interact. energy: -2.069 local terms energy: -250.169138 where: bonds (distance) C4'-P energy: -59.086 bonds (distance) P-C4' energy: -57.585 flat angles C4'-P-C4' energy: -60.118 flat angles P-C4'-P energy: -30.054 tors. eta vs tors. theta energy: -43.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -474.231880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.231880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.231880 (E_RNA) where: Base-Base interactions energy: -257.002 where: short stacking energy: -138.771 Base-Backbone interact. energy: -0.798 local terms energy: -216.431248 where: bonds (distance) C4'-P energy: -50.179 bonds (distance) P-C4' energy: -52.922 flat angles C4'-P-C4' energy: -51.178 flat angles P-C4'-P energy: -38.418 tors. eta vs tors. theta energy: -23.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -305.143762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.143762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.143762 (E_RNA) where: Base-Base interactions energy: -122.154 where: short stacking energy: -100.260 Base-Backbone interact. energy: -0.224 local terms energy: -182.766086 where: bonds (distance) C4'-P energy: -45.989 bonds (distance) P-C4' energy: -53.959 flat angles C4'-P-C4' energy: -57.501 flat angles P-C4'-P energy: -28.165 tors. eta vs tors. theta energy: 2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -336.110371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.110371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.110371 (E_RNA) where: Base-Base interactions energy: -146.557 where: short stacking energy: -81.493 Base-Backbone interact. energy: -0.361 local terms energy: -189.192043 where: bonds (distance) C4'-P energy: -49.580 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -49.925 flat angles P-C4'-P energy: -33.796 tors. eta vs tors. theta energy: 1.680 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: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1171.769091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.769091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.769091 (E_RNA) where: Base-Base interactions energy: -817.031 where: short stacking energy: -334.604 Base-Backbone interact. energy: -2.617 local terms energy: -352.121257 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -69.431 flat angles C4'-P-C4' energy: -76.470 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: -101.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1108.042351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.042351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.042351 (E_RNA) where: Base-Base interactions energy: -763.270 where: short stacking energy: -322.118 Base-Backbone interact. energy: -0.285 local terms energy: -344.487259 where: bonds (distance) C4'-P energy: -75.257 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -69.863 flat angles P-C4'-P energy: -41.386 tors. eta vs tors. theta energy: -92.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -990.747560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.747560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.747560 (E_RNA) where: Base-Base interactions energy: -680.667 where: short stacking energy: -289.942 Base-Backbone interact. energy: -0.770 local terms energy: -309.309816 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -61.543 flat angles C4'-P-C4' energy: -74.803 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -71.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -922.875471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.875471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.875471 (E_RNA) where: Base-Base interactions energy: -622.366 where: short stacking energy: -255.847 Base-Backbone interact. energy: -0.600 local terms energy: -299.909993 where: bonds (distance) C4'-P energy: -67.805 bonds (distance) P-C4' energy: -58.819 flat angles C4'-P-C4' energy: -59.100 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -70.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -842.395744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.395744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.395744 (E_RNA) where: Base-Base interactions energy: -556.354 where: short stacking energy: -241.098 Base-Backbone interact. energy: -1.532 local terms energy: -284.508977 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -62.668 flat angles C4'-P-C4' energy: -67.584 flat angles P-C4'-P energy: -36.215 tors. eta vs tors. theta energy: -60.857 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: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -812.957930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.957930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.957930 (E_RNA) where: Base-Base interactions energy: -541.330 where: short stacking energy: -226.133 Base-Backbone interact. energy: 0.093 local terms energy: -271.721022 where: bonds (distance) C4'-P energy: -63.108 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -64.468 flat angles P-C4'-P energy: -25.231 tors. eta vs tors. theta energy: -51.070 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: 81 Temperature: 1.200000 Total energy: -609.461635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.461635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.461635 (E_RNA) where: Base-Base interactions energy: -349.883 where: short stacking energy: -184.071 Base-Backbone interact. energy: -2.049 local terms energy: -257.529922 where: bonds (distance) C4'-P energy: -61.863 bonds (distance) P-C4' energy: -56.494 flat angles C4'-P-C4' energy: -48.009 flat angles P-C4'-P energy: -49.779 tors. eta vs tors. theta energy: -41.385 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: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -476.447276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.447276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.447276 (E_RNA) where: Base-Base interactions energy: -243.865 where: short stacking energy: -156.462 Base-Backbone interact. energy: -1.122 local terms energy: -231.459307 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -57.357 flat angles C4'-P-C4' energy: -49.329 flat angles P-C4'-P energy: -34.860 tors. eta vs tors. theta energy: -31.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -286.081156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.081156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.081156 (E_RNA) where: Base-Base interactions energy: -99.592 where: short stacking energy: -72.906 Base-Backbone interact. energy: -0.789 local terms energy: -185.700051 where: bonds (distance) C4'-P energy: -61.279 bonds (distance) P-C4' energy: -56.817 flat angles C4'-P-C4' energy: -45.045 flat angles P-C4'-P energy: -30.665 tors. eta vs tors. theta energy: 8.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -329.023192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.023192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.023192 (E_RNA) where: Base-Base interactions energy: -159.757 where: short stacking energy: -82.469 Base-Backbone interact. energy: -0.375 local terms energy: -168.891319 where: bonds (distance) C4'-P energy: -52.279 bonds (distance) P-C4' energy: -44.110 flat angles C4'-P-C4' energy: -48.046 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: 15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1156.108566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.108566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.108566 (E_RNA) where: Base-Base interactions energy: -813.847 where: short stacking energy: -323.982 Base-Backbone interact. energy: -2.106 local terms energy: -340.156217 where: bonds (distance) C4'-P energy: -70.058 bonds (distance) P-C4' energy: -61.167 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -45.833 tors. eta vs tors. theta energy: -96.114 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: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1114.841467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.841467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.841467 (E_RNA) where: Base-Base interactions energy: -770.009 where: short stacking energy: -321.991 Base-Backbone interact. energy: -1.223 local terms energy: -343.610113 where: bonds (distance) C4'-P energy: -60.516 bonds (distance) P-C4' energy: -56.652 flat angles C4'-P-C4' energy: -75.575 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -98.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -982.347333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.347333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.347333 (E_RNA) where: Base-Base interactions energy: -665.378 where: short stacking energy: -294.837 Base-Backbone interact. energy: -2.437 local terms energy: -314.532286 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -75.051 flat angles P-C4'-P energy: -46.556 tors. eta vs tors. theta energy: -76.275 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: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -913.068537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.068537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.068537 (E_RNA) where: Base-Base interactions energy: -611.020 where: short stacking energy: -256.935 Base-Backbone interact. energy: -1.238 local terms energy: -300.811499 where: bonds (distance) C4'-P energy: -54.766 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -64.353 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -67.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -835.478026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.478026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.478026 (E_RNA) where: Base-Base interactions energy: -536.979 where: short stacking energy: -247.091 Base-Backbone interact. energy: -0.137 local terms energy: -298.362070 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -48.540 tors. eta vs tors. theta energy: -63.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -799.653684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.653684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.653684 (E_RNA) where: Base-Base interactions energy: -526.075 where: short stacking energy: -233.370 Base-Backbone interact. energy: -0.269 local terms energy: -273.310019 where: bonds (distance) C4'-P energy: -69.101 bonds (distance) P-C4' energy: -64.627 flat angles C4'-P-C4' energy: -63.117 flat angles P-C4'-P energy: -26.771 tors. eta vs tors. theta energy: -49.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -626.730885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.730885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.730885 (E_RNA) where: Base-Base interactions energy: -371.365 where: short stacking energy: -202.234 Base-Backbone interact. energy: -0.064 local terms energy: -255.301956 where: bonds (distance) C4'-P energy: -50.868 bonds (distance) P-C4' energy: -62.234 flat angles C4'-P-C4' energy: -47.612 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -46.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -507.981833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.981833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.981833 (E_RNA) where: Base-Base interactions energy: -312.714 where: short stacking energy: -137.046 Base-Backbone interact. energy: -2.328 local terms energy: -192.939247 where: bonds (distance) C4'-P energy: -50.427 bonds (distance) P-C4' energy: -54.013 flat angles C4'-P-C4' energy: -39.354 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -395.744311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.744311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.744311 (E_RNA) where: Base-Base interactions energy: -201.438 where: short stacking energy: -118.404 Base-Backbone interact. energy: 2.758 local terms energy: -197.063847 where: bonds (distance) C4'-P energy: -53.145 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -47.532 flat angles P-C4'-P energy: -32.347 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -277.552116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.552116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.552116 (E_RNA) where: Base-Base interactions energy: -119.331 where: short stacking energy: -100.590 Base-Backbone interact. energy: -1.340 local terms energy: -156.881182 where: bonds (distance) C4'-P energy: -41.134 bonds (distance) P-C4' energy: -58.950 flat angles C4'-P-C4' energy: -34.494 flat angles P-C4'-P energy: -27.271 tors. eta vs tors. theta energy: 4.968 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: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1151.137490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.137490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.137490 (E_RNA) where: Base-Base interactions energy: -803.117 where: short stacking energy: -332.084 Base-Backbone interact. energy: -1.131 local terms energy: -346.889910 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -76.187 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -100.202 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: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1113.201052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.201052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.201052 (E_RNA) where: Base-Base interactions energy: -750.086 where: short stacking energy: -302.153 Base-Backbone interact. energy: -0.363 local terms energy: -362.751958 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -73.081 flat angles C4'-P-C4' energy: -67.601 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -102.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -970.757351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.757351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.757351 (E_RNA) where: Base-Base interactions energy: -649.916 where: short stacking energy: -259.218 Base-Backbone interact. energy: -0.835 local terms energy: -320.006331 where: bonds (distance) C4'-P energy: -67.765 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -69.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -893.045940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.045940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.045940 (E_RNA) where: Base-Base interactions energy: -599.352 where: short stacking energy: -252.344 Base-Backbone interact. energy: -0.255 local terms energy: -293.438791 where: bonds (distance) C4'-P energy: -55.692 bonds (distance) P-C4' energy: -61.218 flat angles C4'-P-C4' energy: -60.084 flat angles P-C4'-P energy: -50.443 tors. eta vs tors. theta energy: -66.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -863.010907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.010907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.010907 (E_RNA) where: Base-Base interactions energy: -570.633 where: short stacking energy: -244.082 Base-Backbone interact. energy: -0.234 local terms energy: -292.143192 where: bonds (distance) C4'-P energy: -65.987 bonds (distance) P-C4' energy: -59.073 flat angles C4'-P-C4' energy: -53.094 flat angles P-C4'-P energy: -41.615 tors. eta vs tors. theta energy: -72.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -766.421721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.421721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.421721 (E_RNA) where: Base-Base interactions energy: -504.337 where: short stacking energy: -204.781 Base-Backbone interact. energy: 2.640 local terms energy: -264.724018 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -55.785 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -46.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -647.921953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.921953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.921953 (E_RNA) where: Base-Base interactions energy: -381.826 where: short stacking energy: -207.621 Base-Backbone interact. energy: -1.268 local terms energy: -264.827371 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -44.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -509.333671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.333671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.333671 (E_RNA) where: Base-Base interactions energy: -319.340 where: short stacking energy: -136.143 Base-Backbone interact. energy: 1.728 local terms energy: -191.721622 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -48.206 flat angles C4'-P-C4' energy: -47.447 flat angles P-C4'-P energy: -27.287 tors. eta vs tors. theta energy: -12.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -364.858536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.858536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.858536 (E_RNA) where: Base-Base interactions energy: -165.776 where: short stacking energy: -79.434 Base-Backbone interact. energy: 1.350 local terms energy: -200.432855 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -36.899 flat angles P-C4'-P energy: -38.102 tors. eta vs tors. theta energy: 3.487 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: 2 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -290.230966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.230966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.230966 (E_RNA) where: Base-Base interactions energy: -110.791 where: short stacking energy: -82.982 Base-Backbone interact. energy: 2.343 local terms energy: -181.783218 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -57.161 flat angles C4'-P-C4' energy: -44.562 flat angles P-C4'-P energy: -29.581 tors. eta vs tors. theta energy: 6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1140.729796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.729796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.729796 (E_RNA) where: Base-Base interactions energy: -782.206 where: short stacking energy: -335.887 Base-Backbone interact. energy: -1.702 local terms energy: -356.821018 where: bonds (distance) C4'-P energy: -55.672 bonds (distance) P-C4' energy: -75.659 flat angles C4'-P-C4' energy: -74.630 flat angles P-C4'-P energy: -47.631 tors. eta vs tors. theta energy: -103.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1136.704897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.704897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.704897 (E_RNA) where: Base-Base interactions energy: -788.445 where: short stacking energy: -319.088 Base-Backbone interact. energy: -1.027 local terms energy: -347.232319 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -75.235 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: -100.647 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: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1001.283594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.283594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.283594 (E_RNA) where: Base-Base interactions energy: -679.467 where: short stacking energy: -281.460 Base-Backbone interact. energy: -1.871 local terms energy: -319.945050 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -64.864 flat angles C4'-P-C4' energy: -67.846 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: -77.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -953.173354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.173354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.173354 (E_RNA) where: Base-Base interactions energy: -645.045 where: short stacking energy: -280.392 Base-Backbone interact. energy: -0.402 local terms energy: -307.726310 where: bonds (distance) C4'-P energy: -61.310 bonds (distance) P-C4' energy: -56.769 flat angles C4'-P-C4' energy: -63.754 flat angles P-C4'-P energy: -40.396 tors. eta vs tors. theta energy: -85.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -896.042948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.042948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.042948 (E_RNA) where: Base-Base interactions energy: -606.705 where: short stacking energy: -259.590 Base-Backbone interact. energy: -1.182 local terms energy: -288.155769 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -62.721 flat angles C4'-P-C4' energy: -58.594 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -69.518 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: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -769.011390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.011390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.011390 (E_RNA) where: Base-Base interactions energy: -518.502 where: short stacking energy: -219.655 Base-Backbone interact. energy: 1.229 local terms energy: -251.738569 where: bonds (distance) C4'-P energy: -53.488 bonds (distance) P-C4' energy: -52.204 flat angles C4'-P-C4' energy: -58.453 flat angles P-C4'-P energy: -24.456 tors. eta vs tors. theta energy: -63.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -643.147910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.147910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.147910 (E_RNA) where: Base-Base interactions energy: -389.132 where: short stacking energy: -183.708 Base-Backbone interact. energy: -0.759 local terms energy: -253.257152 where: bonds (distance) C4'-P energy: -58.515 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -55.383 flat angles P-C4'-P energy: -33.343 tors. eta vs tors. theta energy: -45.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -493.722145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.722145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.722145 (E_RNA) where: Base-Base interactions energy: -261.562 where: short stacking energy: -151.761 Base-Backbone interact. energy: -0.910 local terms energy: -231.250022 where: bonds (distance) C4'-P energy: -54.477 bonds (distance) P-C4' energy: -60.390 flat angles C4'-P-C4' energy: -59.832 flat angles P-C4'-P energy: -30.130 tors. eta vs tors. theta energy: -26.421 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: 84 Temperature: 1.300000 Total energy: -307.867709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.867709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.867709 (E_RNA) where: Base-Base interactions energy: -130.032 where: short stacking energy: -77.203 Base-Backbone interact. energy: -0.490 local terms energy: -177.346057 where: bonds (distance) C4'-P energy: -58.913 bonds (distance) P-C4' energy: -53.658 flat angles C4'-P-C4' energy: -46.680 flat angles P-C4'-P energy: -29.004 tors. eta vs tors. theta energy: 10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -339.704994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.704994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.704994 (E_RNA) where: Base-Base interactions energy: -153.296 where: short stacking energy: -78.569 Base-Backbone interact. energy: 2.537 local terms energy: -188.945677 where: bonds (distance) C4'-P energy: -55.544 bonds (distance) P-C4' energy: -53.825 flat angles C4'-P-C4' energy: -55.768 flat angles P-C4'-P energy: -27.004 tors. eta vs tors. theta energy: 3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1124.285380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.285380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.285380 (E_RNA) where: Base-Base interactions energy: -776.244 where: short stacking energy: -319.482 Base-Backbone interact. energy: -1.181 local terms energy: -346.860611 where: bonds (distance) C4'-P energy: -70.241 bonds (distance) P-C4' energy: -64.462 flat angles C4'-P-C4' energy: -69.731 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -89.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1152.213864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.213864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.213864 (E_RNA) where: Base-Base interactions energy: -783.121 where: short stacking energy: -309.256 Base-Backbone interact. energy: -3.302 local terms energy: -365.791183 where: bonds (distance) C4'-P energy: -72.470 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -52.996 tors. eta vs tors. theta energy: -97.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -971.888147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.888147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.888147 (E_RNA) where: Base-Base interactions energy: -642.567 where: short stacking energy: -281.391 Base-Backbone interact. energy: 0.989 local terms energy: -330.309620 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -67.360 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -53.538 tors. eta vs tors. theta energy: -73.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -986.610561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.610561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.610561 (E_RNA) where: Base-Base interactions energy: -668.953 where: short stacking energy: -279.522 Base-Backbone interact. energy: -2.311 local terms energy: -315.345957 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -66.640 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: -80.489 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: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -948.445579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.445579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.445579 (E_RNA) where: Base-Base interactions energy: -639.182 where: short stacking energy: -272.423 Base-Backbone interact. energy: 0.543 local terms energy: -309.806439 where: bonds (distance) C4'-P energy: -61.740 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -75.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -804.818400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.818400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.818400 (E_RNA) where: Base-Base interactions energy: -544.531 where: short stacking energy: -219.398 Base-Backbone interact. energy: -2.427 local terms energy: -257.859993 where: bonds (distance) C4'-P energy: -60.109 bonds (distance) P-C4' energy: -46.625 flat angles C4'-P-C4' energy: -51.896 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: -61.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -587.433184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.433184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.433184 (E_RNA) where: Base-Base interactions energy: -350.165 where: short stacking energy: -163.611 Base-Backbone interact. energy: 0.142 local terms energy: -237.410550 where: bonds (distance) C4'-P energy: -58.614 bonds (distance) P-C4' energy: -54.607 flat angles C4'-P-C4' energy: -52.890 flat angles P-C4'-P energy: -34.064 tors. eta vs tors. theta energy: -37.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -497.040021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.040021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.040021 (E_RNA) where: Base-Base interactions energy: -272.389 where: short stacking energy: -162.609 Base-Backbone interact. energy: -0.883 local terms energy: -223.768048 where: bonds (distance) C4'-P energy: -57.108 bonds (distance) P-C4' energy: -61.325 flat angles C4'-P-C4' energy: -49.567 flat angles P-C4'-P energy: -31.697 tors. eta vs tors. theta energy: -24.071 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: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -339.710992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.710992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.710992 (E_RNA) where: Base-Base interactions energy: -170.949 where: short stacking energy: -94.302 Base-Backbone interact. energy: -0.987 local terms energy: -167.775706 where: bonds (distance) C4'-P energy: -49.062 bonds (distance) P-C4' energy: -48.145 flat angles C4'-P-C4' energy: -38.887 flat angles P-C4'-P energy: -30.592 tors. eta vs tors. theta energy: -1.090 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: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -367.848832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.848832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.848832 (E_RNA) where: Base-Base interactions energy: -181.346 where: short stacking energy: -101.936 Base-Backbone interact. energy: 3.323 local terms energy: -189.825320 where: bonds (distance) C4'-P energy: -57.428 bonds (distance) P-C4' energy: -56.608 flat angles C4'-P-C4' energy: -45.276 flat angles P-C4'-P energy: -31.822 tors. eta vs tors. theta energy: 1.309 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: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1178.461647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.461647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.461647 (E_RNA) where: Base-Base interactions energy: -813.584 where: short stacking energy: -325.887 Base-Backbone interact. energy: 1.745 local terms energy: -366.622645 where: bonds (distance) C4'-P energy: -66.057 bonds (distance) P-C4' energy: -66.105 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -54.444 tors. eta vs tors. theta energy: -97.944 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: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1113.217685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.217685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.217685 (E_RNA) where: Base-Base interactions energy: -758.532 where: short stacking energy: -318.582 Base-Backbone interact. energy: -2.376 local terms energy: -352.309961 where: bonds (distance) C4'-P energy: -58.187 bonds (distance) P-C4' energy: -67.341 flat angles C4'-P-C4' energy: -76.765 flat angles P-C4'-P energy: -57.246 tors. eta vs tors. theta energy: -92.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1017.348871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.348871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.348871 (E_RNA) where: Base-Base interactions energy: -682.818 where: short stacking energy: -297.029 Base-Backbone interact. energy: -1.267 local terms energy: -333.263928 where: bonds (distance) C4'-P energy: -63.705 bonds (distance) P-C4' energy: -67.080 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -53.205 tors. eta vs tors. theta energy: -80.193 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: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -924.619804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.619804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.619804 (E_RNA) where: Base-Base interactions energy: -615.039 where: short stacking energy: -256.013 Base-Backbone interact. energy: 0.224 local terms energy: -309.804187 where: bonds (distance) C4'-P energy: -71.291 bonds (distance) P-C4' energy: -66.885 flat angles C4'-P-C4' energy: -60.567 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: -69.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -926.220453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.220453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.220453 (E_RNA) where: Base-Base interactions energy: -647.076 where: short stacking energy: -264.270 Base-Backbone interact. energy: -1.164 local terms energy: -277.980345 where: bonds (distance) C4'-P energy: -49.663 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -63.394 flat angles P-C4'-P energy: -30.315 tors. eta vs tors. theta energy: -72.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -786.317266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.317266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.317266 (E_RNA) where: Base-Base interactions energy: -517.774 where: short stacking energy: -229.423 Base-Backbone interact. energy: 1.940 local terms energy: -270.483149 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -58.115 flat angles C4'-P-C4' energy: -71.745 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -51.028 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: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -521.322941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.322941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.322941 (E_RNA) where: Base-Base interactions energy: -281.113 where: short stacking energy: -153.515 Base-Backbone interact. energy: -1.362 local terms energy: -238.847397 where: bonds (distance) C4'-P energy: -58.958 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -48.380 flat angles P-C4'-P energy: -35.012 tors. eta vs tors. theta energy: -32.521 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: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -555.228228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.228228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.228228 (E_RNA) where: Base-Base interactions energy: -310.716 where: short stacking energy: -142.279 Base-Backbone interact. energy: -1.988 local terms energy: -242.524976 where: bonds (distance) C4'-P energy: -53.302 bonds (distance) P-C4' energy: -48.578 flat angles C4'-P-C4' energy: -61.620 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -37.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -375.059889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.059889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.059889 (E_RNA) where: Base-Base interactions energy: -164.759 where: short stacking energy: -100.753 Base-Backbone interact. energy: 6.542 local terms energy: -216.843114 where: bonds (distance) C4'-P energy: -68.801 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -44.918 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: 4.981 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: 10, replica: 2 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -314.500488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.500488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.500488 (E_RNA) where: Base-Base interactions energy: -144.563 where: short stacking energy: -100.848 Base-Backbone interact. energy: 4.964 local terms energy: -174.901768 where: bonds (distance) C4'-P energy: -63.127 bonds (distance) P-C4' energy: -50.112 flat angles C4'-P-C4' energy: -38.986 flat angles P-C4'-P energy: -26.917 tors. eta vs tors. theta energy: 4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1153.765739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.765739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.765739 (E_RNA) where: Base-Base interactions energy: -798.727 where: short stacking energy: -318.416 Base-Backbone interact. energy: -1.350 local terms energy: -353.688085 where: bonds (distance) C4'-P energy: -59.813 bonds (distance) P-C4' energy: -62.213 flat angles C4'-P-C4' energy: -78.717 flat angles P-C4'-P energy: -58.184 tors. eta vs tors. theta energy: -94.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1132.591751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.591751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.591751 (E_RNA) where: Base-Base interactions energy: -777.277 where: short stacking energy: -322.972 Base-Backbone interact. energy: -0.407 local terms energy: -354.907337 where: bonds (distance) C4'-P energy: -66.260 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -70.238 flat angles P-C4'-P energy: -52.977 tors. eta vs tors. theta energy: -99.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1031.884148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.884148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.884148 (E_RNA) where: Base-Base interactions energy: -691.626 where: short stacking energy: -288.578 Base-Backbone interact. energy: -0.430 local terms energy: -339.828057 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -81.103 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -914.343999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.343999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.343999 (E_RNA) where: Base-Base interactions energy: -618.227 where: short stacking energy: -267.919 Base-Backbone interact. energy: -2.081 local terms energy: -294.036093 where: bonds (distance) C4'-P energy: -55.162 bonds (distance) P-C4' energy: -59.127 flat angles C4'-P-C4' energy: -67.584 flat angles P-C4'-P energy: -49.410 tors. eta vs tors. theta energy: -62.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -968.037265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.037265 (E_RNA) where: Base-Base interactions energy: -661.436 where: short stacking energy: -279.974 Base-Backbone interact. energy: 0.562 local terms energy: -307.163316 where: bonds (distance) C4'-P energy: -52.089 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -69.307 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -85.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -785.635721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.635721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.635721 (E_RNA) where: Base-Base interactions energy: -513.433 where: short stacking energy: -225.755 Base-Backbone interact. energy: -0.520 local terms energy: -271.682471 where: bonds (distance) C4'-P energy: -52.919 bonds (distance) P-C4' energy: -61.186 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -48.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -503.157440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.157440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.157440 (E_RNA) where: Base-Base interactions energy: -277.540 where: short stacking energy: -139.938 Base-Backbone interact. energy: -1.146 local terms energy: -224.471201 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -49.309 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -11.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -466.637046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.637046 (E_RNA) where: Base-Base interactions energy: -230.521 where: short stacking energy: -108.599 Base-Backbone interact. energy: 3.748 local terms energy: -239.863544 where: bonds (distance) C4'-P energy: -66.482 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -56.878 flat angles P-C4'-P energy: -39.458 tors. eta vs tors. theta energy: -16.579 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: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -420.693767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.693767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.693767 (E_RNA) where: Base-Base interactions energy: -199.333 where: short stacking energy: -111.196 Base-Backbone interact. energy: -0.957 local terms energy: -220.404121 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -59.907 flat angles C4'-P-C4' energy: -56.282 flat angles P-C4'-P energy: -34.456 tors. eta vs tors. theta energy: -11.634 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: 10, replica: 2 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -278.258542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.258542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.258542 (E_RNA) where: Base-Base interactions energy: -109.533 where: short stacking energy: -88.708 Base-Backbone interact. energy: 5.021 local terms energy: -173.746850 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -53.060 flat angles C4'-P-C4' energy: -47.915 flat angles P-C4'-P energy: -18.150 tors. eta vs tors. theta energy: 4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1155.668717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.668717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.668717 (E_RNA) where: Base-Base interactions energy: -786.198 where: short stacking energy: -328.110 Base-Backbone interact. energy: -1.327 local terms energy: -368.143776 where: bonds (distance) C4'-P energy: -75.207 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -81.177 flat angles P-C4'-P energy: -44.688 tors. eta vs tors. theta energy: -101.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1111.199070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.199070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.199070 (E_RNA) where: Base-Base interactions energy: -752.184 where: short stacking energy: -325.020 Base-Backbone interact. energy: -1.099 local terms energy: -357.915858 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -72.147 flat angles C4'-P-C4' energy: -74.149 flat angles P-C4'-P energy: -52.455 tors. eta vs tors. theta energy: -97.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1014.198727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.198727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.198727 (E_RNA) where: Base-Base interactions energy: -688.678 where: short stacking energy: -310.505 Base-Backbone interact. energy: -0.041 local terms energy: -325.479352 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -65.815 flat angles P-C4'-P energy: -52.835 tors. eta vs tors. theta energy: -90.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -944.201195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.201195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.201195 (E_RNA) where: Base-Base interactions energy: -633.320 where: short stacking energy: -248.277 Base-Backbone interact. energy: -0.529 local terms energy: -310.352137 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -60.817 flat angles C4'-P-C4' energy: -67.670 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -74.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -954.076901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.076901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.076901 (E_RNA) where: Base-Base interactions energy: -650.930 where: short stacking energy: -272.098 Base-Backbone interact. energy: -1.471 local terms energy: -301.675124 where: bonds (distance) C4'-P energy: -68.583 bonds (distance) P-C4' energy: -61.260 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -34.935 tors. eta vs tors. theta energy: -78.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -761.699833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.699833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.699833 (E_RNA) where: Base-Base interactions energy: -512.781 where: short stacking energy: -199.647 Base-Backbone interact. energy: -1.009 local terms energy: -247.909837 where: bonds (distance) C4'-P energy: -51.933 bonds (distance) P-C4' energy: -51.780 flat angles C4'-P-C4' energy: -56.154 flat angles P-C4'-P energy: -47.065 tors. eta vs tors. theta energy: -40.979 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: 7, replica: 8 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -526.433464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.433464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.433464 (E_RNA) where: Base-Base interactions energy: -319.097 where: short stacking energy: -153.606 Base-Backbone interact. energy: -1.970 local terms energy: -205.366303 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -46.806 flat angles C4'-P-C4' energy: -60.913 flat angles P-C4'-P energy: -18.674 tors. eta vs tors. theta energy: -22.629 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: 88 Temperature: 1.250000 Total energy: -524.263191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.263191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.263191 (E_RNA) where: Base-Base interactions energy: -309.900 where: short stacking energy: -146.779 Base-Backbone interact. energy: -1.358 local terms energy: -213.005442 where: bonds (distance) C4'-P energy: -52.579 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -44.078 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -395.207965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.207965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.207965 (E_RNA) where: Base-Base interactions energy: -189.170 where: short stacking energy: -109.166 Base-Backbone interact. energy: -2.451 local terms energy: -203.587366 where: bonds (distance) C4'-P energy: -48.330 bonds (distance) P-C4' energy: -53.639 flat angles C4'-P-C4' energy: -43.942 flat angles P-C4'-P energy: -41.758 tors. eta vs tors. theta energy: -15.918 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: 2 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -277.206707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.206707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.206707 (E_RNA) where: Base-Base interactions energy: -111.620 where: short stacking energy: -92.551 Base-Backbone interact. energy: 2.442 local terms energy: -168.028676 where: bonds (distance) C4'-P energy: -52.256 bonds (distance) P-C4' energy: -52.263 flat angles C4'-P-C4' energy: -44.734 flat angles P-C4'-P energy: -20.362 tors. eta vs tors. theta energy: 1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1155.675648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.675648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.675648 (E_RNA) where: Base-Base interactions energy: -795.337 where: short stacking energy: -331.784 Base-Backbone interact. energy: -1.391 local terms energy: -358.947671 where: bonds (distance) C4'-P energy: -60.246 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -50.409 tors. eta vs tors. theta energy: -103.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1116.563929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.563929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.563929 (E_RNA) where: Base-Base interactions energy: -756.472 where: short stacking energy: -318.548 Base-Backbone interact. energy: -0.719 local terms energy: -359.372522 where: bonds (distance) C4'-P energy: -66.171 bonds (distance) P-C4' energy: -73.129 flat angles C4'-P-C4' energy: -64.653 flat angles P-C4'-P energy: -55.490 tors. eta vs tors. theta energy: -99.929 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: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1020.608791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.608791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.608791 (E_RNA) where: Base-Base interactions energy: -686.459 where: short stacking energy: -298.643 Base-Backbone interact. energy: -0.867 local terms energy: -333.282541 where: bonds (distance) C4'-P energy: -55.190 bonds (distance) P-C4' energy: -66.574 flat angles C4'-P-C4' energy: -74.800 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -84.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -998.101768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.101768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.101768 (E_RNA) where: Base-Base interactions energy: -658.647 where: short stacking energy: -277.230 Base-Backbone interact. energy: -0.917 local terms energy: -338.537685 where: bonds (distance) C4'-P energy: -62.328 bonds (distance) P-C4' energy: -67.229 flat angles C4'-P-C4' energy: -80.691 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -77.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -938.795569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.795569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.795569 (E_RNA) where: Base-Base interactions energy: -622.220 where: short stacking energy: -256.836 Base-Backbone interact. energy: 2.770 local terms energy: -319.345900 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -64.146 flat angles C4'-P-C4' energy: -83.767 flat angles P-C4'-P energy: -36.801 tors. eta vs tors. theta energy: -75.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -754.437128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.437128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.437128 (E_RNA) where: Base-Base interactions energy: -483.374 where: short stacking energy: -225.323 Base-Backbone interact. energy: 0.584 local terms energy: -271.647195 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -58.357 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -51.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -566.284720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.284720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.284720 (E_RNA) where: Base-Base interactions energy: -335.410 where: short stacking energy: -160.276 Base-Backbone interact. energy: -2.240 local terms energy: -228.634901 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -56.944 flat angles P-C4'-P energy: -33.395 tors. eta vs tors. theta energy: -27.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -446.549728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.549728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.549728 (E_RNA) where: Base-Base interactions energy: -269.418 where: short stacking energy: -147.965 Base-Backbone interact. energy: -0.200 local terms energy: -176.932237 where: bonds (distance) C4'-P energy: -45.042 bonds (distance) P-C4' energy: -43.382 flat angles C4'-P-C4' energy: -48.873 flat angles P-C4'-P energy: -23.396 tors. eta vs tors. theta energy: -16.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -372.526132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.526132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.526132 (E_RNA) where: Base-Base interactions energy: -195.432 where: short stacking energy: -117.675 Base-Backbone interact. energy: 0.822 local terms energy: -177.915436 where: bonds (distance) C4'-P energy: -38.674 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -41.541 flat angles P-C4'-P energy: -18.484 tors. eta vs tors. theta energy: -16.324 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: 10, replica: 2 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -256.229577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.229577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.229577 (E_RNA) where: Base-Base interactions energy: -83.405 where: short stacking energy: -73.281 Base-Backbone interact. energy: -0.986 local terms energy: -171.838791 where: bonds (distance) C4'-P energy: -53.675 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -30.967 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: 12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1124.781865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.781865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.781865 (E_RNA) where: Base-Base interactions energy: -764.566 where: short stacking energy: -321.303 Base-Backbone interact. energy: 0.248 local terms energy: -360.463799 where: bonds (distance) C4'-P energy: -68.975 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -69.805 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -97.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1129.902662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.902662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.902662 (E_RNA) where: Base-Base interactions energy: -792.630 where: short stacking energy: -324.604 Base-Backbone interact. energy: -2.973 local terms energy: -334.299698 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -57.382 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -94.997 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: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1020.900564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.900564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.900564 (E_RNA) where: Base-Base interactions energy: -692.924 where: short stacking energy: -301.147 Base-Backbone interact. energy: 1.035 local terms energy: -329.010940 where: bonds (distance) C4'-P energy: -53.623 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -73.649 flat angles P-C4'-P energy: -44.533 tors. eta vs tors. theta energy: -83.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -997.130727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.130727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.130727 (E_RNA) where: Base-Base interactions energy: -672.775 where: short stacking energy: -289.209 Base-Backbone interact. energy: -1.783 local terms energy: -322.572810 where: bonds (distance) C4'-P energy: -53.136 bonds (distance) P-C4' energy: -63.316 flat angles C4'-P-C4' energy: -66.853 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -93.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -920.334742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.334742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.334742 (E_RNA) where: Base-Base interactions energy: -629.773 where: short stacking energy: -261.913 Base-Backbone interact. energy: -0.424 local terms energy: -290.137459 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -54.248 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -73.161 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: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -752.489580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.489580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.489580 (E_RNA) where: Base-Base interactions energy: -480.340 where: short stacking energy: -218.793 Base-Backbone interact. energy: -1.550 local terms energy: -270.600117 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -54.474 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -36.588 tors. eta vs tors. theta energy: -55.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -559.745521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.745521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.745521 (E_RNA) where: Base-Base interactions energy: -356.134 where: short stacking energy: -177.735 Base-Backbone interact. energy: 0.564 local terms energy: -204.175317 where: bonds (distance) C4'-P energy: -56.316 bonds (distance) P-C4' energy: -51.418 flat angles C4'-P-C4' energy: -57.669 flat angles P-C4'-P energy: -16.982 tors. eta vs tors. theta energy: -21.790 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: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -435.465865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.465865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.465865 (E_RNA) where: Base-Base interactions energy: -218.470 where: short stacking energy: -136.803 Base-Backbone interact. energy: -1.359 local terms energy: -215.637675 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -55.157 flat angles C4'-P-C4' energy: -52.788 flat angles P-C4'-P energy: -27.520 tors. eta vs tors. theta energy: -16.645 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: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -380.732387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.732387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.732387 (E_RNA) where: Base-Base interactions energy: -179.561 where: short stacking energy: -114.354 Base-Backbone interact. energy: -0.796 local terms energy: -200.374900 where: bonds (distance) C4'-P energy: -43.347 bonds (distance) P-C4' energy: -65.825 flat angles C4'-P-C4' energy: -60.922 flat angles P-C4'-P energy: -32.129 tors. eta vs tors. theta energy: 1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -278.516830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.516830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.516830 (E_RNA) where: Base-Base interactions energy: -97.378 where: short stacking energy: -88.781 Base-Backbone interact. energy: 0.267 local terms energy: -181.405109 where: bonds (distance) C4'-P energy: -49.366 bonds (distance) P-C4' energy: -57.476 flat angles C4'-P-C4' energy: -44.515 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: 2.967 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: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1132.377990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.377990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.377990 (E_RNA) where: Base-Base interactions energy: -762.281 where: short stacking energy: -329.966 Base-Backbone interact. energy: -1.570 local terms energy: -368.527302 where: bonds (distance) C4'-P energy: -65.131 bonds (distance) P-C4' energy: -64.697 flat angles C4'-P-C4' energy: -79.215 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -100.582 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: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1143.729427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.729427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.729427 (E_RNA) where: Base-Base interactions energy: -797.095 where: short stacking energy: -321.509 Base-Backbone interact. energy: -2.371 local terms energy: -344.263270 where: bonds (distance) C4'-P energy: -62.163 bonds (distance) P-C4' energy: -68.689 flat angles C4'-P-C4' energy: -71.461 flat angles P-C4'-P energy: -45.369 tors. eta vs tors. theta energy: -96.582 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: 91 Temperature: 1.000000 Total energy: -1023.919975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.919975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.919975 (E_RNA) where: Base-Base interactions energy: -693.909 where: short stacking energy: -303.894 Base-Backbone interact. energy: 0.382 local terms energy: -330.393880 where: bonds (distance) C4'-P energy: -58.350 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -65.514 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -996.411994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.411994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.411994 (E_RNA) where: Base-Base interactions energy: -665.948 where: short stacking energy: -284.998 Base-Backbone interact. energy: 0.582 local terms energy: -331.046021 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -91.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -896.036857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.036857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.036857 (E_RNA) where: Base-Base interactions energy: -592.354 where: short stacking energy: -250.317 Base-Backbone interact. energy: -1.965 local terms energy: -301.717982 where: bonds (distance) C4'-P energy: -64.344 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: -69.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -760.822408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.822408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.822408 (E_RNA) where: Base-Base interactions energy: -486.732 where: short stacking energy: -210.256 Base-Backbone interact. energy: -1.015 local terms energy: -273.074564 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -75.625 flat angles P-C4'-P energy: -35.782 tors. eta vs tors. theta energy: -51.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -581.007182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.007182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.007182 (E_RNA) where: Base-Base interactions energy: -342.132 where: short stacking energy: -151.215 Base-Backbone interact. energy: -0.026 local terms energy: -238.849972 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -51.569 flat angles C4'-P-C4' energy: -67.898 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -23.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -389.930543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.930543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.930543 (E_RNA) where: Base-Base interactions energy: -208.450 where: short stacking energy: -122.539 Base-Backbone interact. energy: -0.910 local terms energy: -180.571027 where: bonds (distance) C4'-P energy: -49.784 bonds (distance) P-C4' energy: -55.337 flat angles C4'-P-C4' energy: -36.094 flat angles P-C4'-P energy: -34.288 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -376.842762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.842762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.842762 (E_RNA) where: Base-Base interactions energy: -166.053 where: short stacking energy: -106.144 Base-Backbone interact. energy: -2.058 local terms energy: -208.731748 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -51.851 flat angles C4'-P-C4' energy: -59.145 flat angles P-C4'-P energy: -43.741 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: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -265.697685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.697685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.697685 (E_RNA) where: Base-Base interactions energy: -80.534 where: short stacking energy: -65.862 Base-Backbone interact. energy: -0.772 local terms energy: -184.391860 where: bonds (distance) C4'-P energy: -59.346 bonds (distance) P-C4' energy: -52.876 flat angles C4'-P-C4' energy: -47.876 flat angles P-C4'-P energy: -29.344 tors. eta vs tors. theta energy: 5.051 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: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1135.913514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.913514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.913514 (E_RNA) where: Base-Base interactions energy: -773.008 where: short stacking energy: -329.098 Base-Backbone interact. energy: -1.150 local terms energy: -361.756313 where: bonds (distance) C4'-P energy: -63.912 bonds (distance) P-C4' energy: -66.148 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -104.170 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: 7 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1129.067060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.067060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.067060 (E_RNA) where: Base-Base interactions energy: -768.638 where: short stacking energy: -328.851 Base-Backbone interact. energy: -0.727 local terms energy: -359.702310 where: bonds (distance) C4'-P energy: -71.808 bonds (distance) P-C4' energy: -65.047 flat angles C4'-P-C4' energy: -75.648 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -97.249 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: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1004.645227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.645227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.645227 (E_RNA) where: Base-Base interactions energy: -678.920 where: short stacking energy: -286.168 Base-Backbone interact. energy: 1.547 local terms energy: -327.272427 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -64.859 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -83.201 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: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -990.653923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.653923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.653923 (E_RNA) where: Base-Base interactions energy: -680.081 where: short stacking energy: -311.245 Base-Backbone interact. energy: -0.305 local terms energy: -310.268503 where: bonds (distance) C4'-P energy: -49.066 bonds (distance) P-C4' energy: -56.306 flat angles C4'-P-C4' energy: -76.167 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -86.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -881.920173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.920173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.920173 (E_RNA) where: Base-Base interactions energy: -607.604 where: short stacking energy: -268.645 Base-Backbone interact. energy: 0.133 local terms energy: -274.449241 where: bonds (distance) C4'-P energy: -57.295 bonds (distance) P-C4' energy: -44.900 flat angles C4'-P-C4' energy: -59.719 flat angles P-C4'-P energy: -44.830 tors. eta vs tors. theta energy: -67.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -734.099671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.099671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.099671 (E_RNA) where: Base-Base interactions energy: -471.356 where: short stacking energy: -210.263 Base-Backbone interact. energy: -1.835 local terms energy: -260.908972 where: bonds (distance) C4'-P energy: -63.826 bonds (distance) P-C4' energy: -59.451 flat angles C4'-P-C4' energy: -63.800 flat angles P-C4'-P energy: -29.503 tors. eta vs tors. theta energy: -44.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -624.489377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.489377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.489377 (E_RNA) where: Base-Base interactions energy: -391.313 where: short stacking energy: -196.327 Base-Backbone interact. energy: -2.157 local terms energy: -231.019806 where: bonds (distance) C4'-P energy: -39.002 bonds (distance) P-C4' energy: -55.322 flat angles C4'-P-C4' energy: -60.896 flat angles P-C4'-P energy: -37.188 tors. eta vs tors. theta energy: -38.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -418.535637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.535637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.535637 (E_RNA) where: Base-Base interactions energy: -218.465 where: short stacking energy: -121.555 Base-Backbone interact. energy: 1.679 local terms energy: -201.749726 where: bonds (distance) C4'-P energy: -54.854 bonds (distance) P-C4' energy: -62.450 flat angles C4'-P-C4' energy: -58.876 flat angles P-C4'-P energy: -26.395 tors. eta vs tors. theta energy: 0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -360.738265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.738265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.738265 (E_RNA) where: Base-Base interactions energy: -164.694 where: short stacking energy: -107.273 Base-Backbone interact. energy: 0.139 local terms energy: -196.183235 where: bonds (distance) C4'-P energy: -49.733 bonds (distance) P-C4' energy: -56.427 flat angles C4'-P-C4' energy: -55.864 flat angles P-C4'-P energy: -25.411 tors. eta vs tors. theta energy: -8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -275.965509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.965509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.965509 (E_RNA) where: Base-Base interactions energy: -97.464 where: short stacking energy: -84.250 Base-Backbone interact. energy: -0.019 local terms energy: -178.481647 where: bonds (distance) C4'-P energy: -44.837 bonds (distance) P-C4' energy: -60.951 flat angles C4'-P-C4' energy: -48.467 flat angles P-C4'-P energy: -29.309 tors. eta vs tors. theta energy: 5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1127.947207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.947207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.947207 (E_RNA) where: Base-Base interactions energy: -770.215 where: short stacking energy: -324.198 Base-Backbone interact. energy: -2.113 local terms energy: -355.618857 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -75.368 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -95.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1127.283983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.283983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.283983 (E_RNA) where: Base-Base interactions energy: -775.808 where: short stacking energy: -314.538 Base-Backbone interact. energy: -0.206 local terms energy: -351.269867 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -67.794 flat angles P-C4'-P energy: -47.605 tors. eta vs tors. theta energy: -101.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1036.102741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.102741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.102741 (E_RNA) where: Base-Base interactions energy: -714.216 where: short stacking energy: -282.045 Base-Backbone interact. energy: -1.227 local terms energy: -320.659945 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -58.488 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -84.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -972.827900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.827900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.827900 (E_RNA) where: Base-Base interactions energy: -657.804 where: short stacking energy: -290.229 Base-Backbone interact. energy: -1.564 local terms energy: -313.460043 where: bonds (distance) C4'-P energy: -59.303 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -67.191 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: -83.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -909.466109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.466109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.466109 (E_RNA) where: Base-Base interactions energy: -607.875 where: short stacking energy: -244.654 Base-Backbone interact. energy: -0.826 local terms energy: -300.764913 where: bonds (distance) C4'-P energy: -51.521 bonds (distance) P-C4' energy: -61.449 flat angles C4'-P-C4' energy: -73.287 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -75.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -756.564749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.564749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.564749 (E_RNA) where: Base-Base interactions energy: -485.244 where: short stacking energy: -227.080 Base-Backbone interact. energy: -0.666 local terms energy: -270.654360 where: bonds (distance) C4'-P energy: -56.063 bonds (distance) P-C4' energy: -53.753 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: -55.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -619.179892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.179892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.179892 (E_RNA) where: Base-Base interactions energy: -388.186 where: short stacking energy: -166.043 Base-Backbone interact. energy: -0.970 local terms energy: -230.023852 where: bonds (distance) C4'-P energy: -50.116 bonds (distance) P-C4' energy: -59.461 flat angles C4'-P-C4' energy: -48.616 flat angles P-C4'-P energy: -38.338 tors. eta vs tors. theta energy: -33.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -468.009337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.009337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.009337 (E_RNA) where: Base-Base interactions energy: -254.150 where: short stacking energy: -115.627 Base-Backbone interact. energy: 2.935 local terms energy: -216.794337 where: bonds (distance) C4'-P energy: -45.954 bonds (distance) P-C4' energy: -54.958 flat angles C4'-P-C4' energy: -56.642 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -16.402 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: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -286.903271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.903271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.903271 (E_RNA) where: Base-Base interactions energy: -92.567 where: short stacking energy: -70.535 Base-Backbone interact. energy: -2.130 local terms energy: -192.206719 where: bonds (distance) C4'-P energy: -48.609 bonds (distance) P-C4' energy: -61.452 flat angles C4'-P-C4' energy: -54.110 flat angles P-C4'-P energy: -27.864 tors. eta vs tors. theta energy: -0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -303.066402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.066402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.066402 (E_RNA) where: Base-Base interactions energy: -114.453 where: short stacking energy: -107.966 Base-Backbone interact. energy: -1.222 local terms energy: -187.391630 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -46.827 flat angles C4'-P-C4' energy: -48.683 flat angles P-C4'-P energy: -26.665 tors. eta vs tors. theta energy: -12.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1132.435669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.435669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.435669 (E_RNA) where: Base-Base interactions energy: -777.757 where: short stacking energy: -326.042 Base-Backbone interact. energy: 0.670 local terms energy: -355.348956 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -55.568 flat angles C4'-P-C4' energy: -74.344 flat angles P-C4'-P energy: -58.246 tors. eta vs tors. theta energy: -93.939 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: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1122.162089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.162089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.162089 (E_RNA) where: Base-Base interactions energy: -764.870 where: short stacking energy: -309.720 Base-Backbone interact. energy: 0.017 local terms energy: -357.309925 where: bonds (distance) C4'-P energy: -69.059 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -76.735 flat angles P-C4'-P energy: -50.475 tors. eta vs tors. theta energy: -100.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1014.126590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.126590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.126590 (E_RNA) where: Base-Base interactions energy: -713.214 where: short stacking energy: -312.656 Base-Backbone interact. energy: -1.420 local terms energy: -299.492571 where: bonds (distance) C4'-P energy: -58.119 bonds (distance) P-C4' energy: -46.014 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -84.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1042.785615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.785615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.785615 (E_RNA) where: Base-Base interactions energy: -723.154 where: short stacking energy: -294.235 Base-Backbone interact. energy: -2.813 local terms energy: -316.818409 where: bonds (distance) C4'-P energy: -60.715 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -66.425 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: -85.620 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: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -865.103417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.103417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.103417 (E_RNA) where: Base-Base interactions energy: -574.392 where: short stacking energy: -248.715 Base-Backbone interact. energy: 0.002 local terms energy: -290.713162 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -55.532 flat angles C4'-P-C4' energy: -65.487 flat angles P-C4'-P energy: -37.866 tors. eta vs tors. theta energy: -77.183 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: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -751.576323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.576323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.576323 (E_RNA) where: Base-Base interactions energy: -487.365 where: short stacking energy: -214.324 Base-Backbone interact. energy: 0.581 local terms energy: -264.792691 where: bonds (distance) C4'-P energy: -49.771 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -37.035 tors. eta vs tors. theta energy: -43.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -619.538631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.538631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.538631 (E_RNA) where: Base-Base interactions energy: -374.488 where: short stacking energy: -167.418 Base-Backbone interact. energy: -0.446 local terms energy: -244.604420 where: bonds (distance) C4'-P energy: -68.509 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -55.596 flat angles P-C4'-P energy: -29.171 tors. eta vs tors. theta energy: -21.942 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: 4 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -536.510784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.510784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.510784 (E_RNA) where: Base-Base interactions energy: -309.921 where: short stacking energy: -150.109 Base-Backbone interact. energy: -0.651 local terms energy: -225.938624 where: bonds (distance) C4'-P energy: -42.383 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -53.403 flat angles P-C4'-P energy: -37.968 tors. eta vs tors. theta energy: -27.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -304.049243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.049243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.049243 (E_RNA) where: Base-Base interactions energy: -110.888 where: short stacking energy: -110.133 Base-Backbone interact. energy: 0.657 local terms energy: -193.818133 where: bonds (distance) C4'-P energy: -48.952 bonds (distance) P-C4' energy: -56.770 flat angles C4'-P-C4' energy: -49.614 flat angles P-C4'-P energy: -27.305 tors. eta vs tors. theta energy: -11.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -268.207394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.207394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.207394 (E_RNA) where: Base-Base interactions energy: -101.351 where: short stacking energy: -89.195 Base-Backbone interact. energy: 1.742 local terms energy: -168.598188 where: bonds (distance) C4'-P energy: -54.229 bonds (distance) P-C4' energy: -39.290 flat angles C4'-P-C4' energy: -47.233 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: 5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1134.632915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.632915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.632915 (E_RNA) where: Base-Base interactions energy: -774.927 where: short stacking energy: -331.028 Base-Backbone interact. energy: -2.637 local terms energy: -357.069736 where: bonds (distance) C4'-P energy: -58.075 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -73.260 flat angles P-C4'-P energy: -61.019 tors. eta vs tors. theta energy: -97.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1134.846029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.846029 (E_RNA) where: Base-Base interactions energy: -786.880 where: short stacking energy: -325.259 Base-Backbone interact. energy: -0.621 local terms energy: -347.344707 where: bonds (distance) C4'-P energy: -65.642 bonds (distance) P-C4' energy: -59.761 flat angles C4'-P-C4' energy: -76.851 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -98.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1041.400366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.400366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.400366 (E_RNA) where: Base-Base interactions energy: -708.908 where: short stacking energy: -296.126 Base-Backbone interact. energy: -1.396 local terms energy: -331.096759 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -65.510 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -88.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -991.543907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.543907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.543907 (E_RNA) where: Base-Base interactions energy: -676.938 where: short stacking energy: -278.175 Base-Backbone interact. energy: -0.546 local terms energy: -314.059466 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -65.712 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -73.995 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: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -819.527989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.527989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.527989 (E_RNA) where: Base-Base interactions energy: -545.403 where: short stacking energy: -236.003 Base-Backbone interact. energy: -1.485 local terms energy: -272.639960 where: bonds (distance) C4'-P energy: -56.331 bonds (distance) P-C4' energy: -49.718 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -38.832 tors. eta vs tors. theta energy: -61.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -745.193278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.193278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.193278 (E_RNA) where: Base-Base interactions energy: -484.617 where: short stacking energy: -205.435 Base-Backbone interact. energy: -1.049 local terms energy: -259.527386 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -61.821 flat angles P-C4'-P energy: -42.115 tors. eta vs tors. theta energy: -41.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -665.616061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.616061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.616061 (E_RNA) where: Base-Base interactions energy: -414.758 where: short stacking energy: -215.255 Base-Backbone interact. energy: -1.148 local terms energy: -249.709904 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -46.873 flat angles C4'-P-C4' energy: -65.221 flat angles P-C4'-P energy: -35.056 tors. eta vs tors. theta energy: -42.740 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: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -531.453675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.453675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.453675 (E_RNA) where: Base-Base interactions energy: -300.762 where: short stacking energy: -150.976 Base-Backbone interact. energy: 0.128 local terms energy: -230.820272 where: bonds (distance) C4'-P energy: -54.759 bonds (distance) P-C4' energy: -56.587 flat angles C4'-P-C4' energy: -54.771 flat angles P-C4'-P energy: -36.623 tors. eta vs tors. theta energy: -28.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -340.051087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.051087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.051087 (E_RNA) where: Base-Base interactions energy: -132.403 where: short stacking energy: -97.568 Base-Backbone interact. energy: -0.372 local terms energy: -207.275897 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -60.674 flat angles C4'-P-C4' energy: -41.836 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -1.267 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: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -258.971668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.971668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.971668 (E_RNA) where: Base-Base interactions energy: -70.199 where: short stacking energy: -59.987 Base-Backbone interact. energy: 3.158 local terms energy: -191.929864 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -61.658 flat angles C4'-P-C4' energy: -47.953 flat angles P-C4'-P energy: -32.041 tors. eta vs tors. theta energy: 10.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1140.214923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.214923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.214923 (E_RNA) where: Base-Base interactions energy: -766.205 where: short stacking energy: -327.182 Base-Backbone interact. energy: -0.395 local terms energy: -373.614266 where: bonds (distance) C4'-P energy: -64.824 bonds (distance) P-C4' energy: -75.415 flat angles C4'-P-C4' energy: -78.624 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -104.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1134.047130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.047130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.047130 (E_RNA) where: Base-Base interactions energy: -795.376 where: short stacking energy: -322.555 Base-Backbone interact. energy: -1.717 local terms energy: -336.954159 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -65.340 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -94.760 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: 96 Temperature: 1.000000 Total energy: -1043.796532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.796532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.796532 (E_RNA) where: Base-Base interactions energy: -708.415 where: short stacking energy: -307.332 Base-Backbone interact. energy: -1.746 local terms energy: -333.635523 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -72.066 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -48.919 tors. eta vs tors. theta energy: -91.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1000.582600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.582600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.582600 (E_RNA) where: Base-Base interactions energy: -675.526 where: short stacking energy: -269.079 Base-Backbone interact. energy: -1.336 local terms energy: -323.720450 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -62.862 flat angles P-C4'-P energy: -51.526 tors. eta vs tors. theta energy: -79.061 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: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -838.390904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.390904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.390904 (E_RNA) where: Base-Base interactions energy: -559.233 where: short stacking energy: -240.653 Base-Backbone interact. energy: -1.140 local terms energy: -278.017700 where: bonds (distance) C4'-P energy: -62.397 bonds (distance) P-C4' energy: -50.362 flat angles C4'-P-C4' energy: -65.854 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -60.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -745.679886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.679886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.679886 (E_RNA) where: Base-Base interactions energy: -486.559 where: short stacking energy: -191.028 Base-Backbone interact. energy: -1.975 local terms energy: -257.145498 where: bonds (distance) C4'-P energy: -63.188 bonds (distance) P-C4' energy: -52.348 flat angles C4'-P-C4' energy: -63.464 flat angles P-C4'-P energy: -38.947 tors. eta vs tors. theta energy: -39.198 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: 96 Temperature: 1.200000 Total energy: -673.026639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.026639 (E_RNA) where: Base-Base interactions energy: -428.239 where: short stacking energy: -184.901 Base-Backbone interact. energy: -3.087 local terms energy: -241.700241 where: bonds (distance) C4'-P energy: -54.799 bonds (distance) P-C4' energy: -54.049 flat angles C4'-P-C4' energy: -51.730 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -42.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -536.380623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.380623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.380623 (E_RNA) where: Base-Base interactions energy: -321.211 where: short stacking energy: -142.194 Base-Backbone interact. energy: -0.868 local terms energy: -214.301551 where: bonds (distance) C4'-P energy: -43.434 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -57.811 flat angles P-C4'-P energy: -30.885 tors. eta vs tors. theta energy: -21.124 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: 96 Temperature: 1.300000 Total energy: -273.568484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.568484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.568484 (E_RNA) where: Base-Base interactions energy: -113.453 where: short stacking energy: -74.116 Base-Backbone interact. energy: 4.324 local terms energy: -164.439343 where: bonds (distance) C4'-P energy: -48.274 bonds (distance) P-C4' energy: -52.682 flat angles C4'-P-C4' energy: -44.948 flat angles P-C4'-P energy: -30.844 tors. eta vs tors. theta energy: 12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -284.373312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.373312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.373312 (E_RNA) where: Base-Base interactions energy: -102.566 where: short stacking energy: -81.577 Base-Backbone interact. energy: 2.046 local terms energy: -183.853594 where: bonds (distance) C4'-P energy: -67.204 bonds (distance) P-C4' energy: -42.146 flat angles C4'-P-C4' energy: -46.506 flat angles P-C4'-P energy: -32.379 tors. eta vs tors. theta energy: 4.381 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: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1138.944507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.944507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.944507 (E_RNA) where: Base-Base interactions energy: -773.614 where: short stacking energy: -329.839 Base-Backbone interact. energy: -1.310 local terms energy: -364.020509 where: bonds (distance) C4'-P energy: -69.304 bonds (distance) P-C4' energy: -72.344 flat angles C4'-P-C4' energy: -70.861 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -102.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1116.476965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.476965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.476965 (E_RNA) where: Base-Base interactions energy: -766.242 where: short stacking energy: -303.757 Base-Backbone interact. energy: -0.185 local terms energy: -350.049275 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -68.756 flat angles C4'-P-C4' energy: -76.914 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -86.210 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: 97 Temperature: 1.000000 Total energy: -1040.512525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.512525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.512525 (E_RNA) where: Base-Base interactions energy: -707.521 where: short stacking energy: -321.882 Base-Backbone interact. energy: -1.499 local terms energy: -331.492426 where: bonds (distance) C4'-P energy: -59.472 bonds (distance) P-C4' energy: -65.655 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -48.188 tors. eta vs tors. theta energy: -91.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1015.226917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.226917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.226917 (E_RNA) where: Base-Base interactions energy: -717.074 where: short stacking energy: -272.390 Base-Backbone interact. energy: -0.701 local terms energy: -297.452594 where: bonds (distance) C4'-P energy: -50.987 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -64.330 flat angles P-C4'-P energy: -44.864 tors. eta vs tors. theta energy: -80.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -827.955672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.955672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.955672 (E_RNA) where: Base-Base interactions energy: -542.123 where: short stacking energy: -214.786 Base-Backbone interact. energy: -1.679 local terms energy: -284.153717 where: bonds (distance) C4'-P energy: -66.101 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -69.343 flat angles P-C4'-P energy: -28.994 tors. eta vs tors. theta energy: -55.677 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: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -801.348757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.348757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.348757 (E_RNA) where: Base-Base interactions energy: -513.066 where: short stacking energy: -221.186 Base-Backbone interact. energy: 1.998 local terms energy: -290.280872 where: bonds (distance) C4'-P energy: -61.169 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -47.280 tors. eta vs tors. theta energy: -50.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -635.162750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.162750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.162750 (E_RNA) where: Base-Base interactions energy: -398.198 where: short stacking energy: -175.763 Base-Backbone interact. energy: -0.369 local terms energy: -236.595170 where: bonds (distance) C4'-P energy: -47.567 bonds (distance) P-C4' energy: -62.281 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -30.842 tors. eta vs tors. theta energy: -33.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -538.005340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.005340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.005340 (E_RNA) where: Base-Base interactions energy: -312.584 where: short stacking energy: -148.890 Base-Backbone interact. energy: -3.173 local terms energy: -222.248051 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -51.624 flat angles C4'-P-C4' energy: -59.539 flat angles P-C4'-P energy: -25.771 tors. eta vs tors. theta energy: -23.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -333.946437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.946437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.946437 (E_RNA) where: Base-Base interactions energy: -140.906 where: short stacking energy: -92.880 Base-Backbone interact. energy: 1.273 local terms energy: -194.314121 where: bonds (distance) C4'-P energy: -59.674 bonds (distance) P-C4' energy: -67.534 flat angles C4'-P-C4' energy: -38.574 flat angles P-C4'-P energy: -30.170 tors. eta vs tors. theta energy: 1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -284.084999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.084999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.084999 (E_RNA) where: Base-Base interactions energy: -93.198 where: short stacking energy: -92.814 Base-Backbone interact. energy: 4.597 local terms energy: -195.483343 where: bonds (distance) C4'-P energy: -53.437 bonds (distance) P-C4' energy: -58.668 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -25.181 tors. eta vs tors. theta energy: -1.991 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: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1168.346332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.346332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.346332 (E_RNA) where: Base-Base interactions energy: -798.729 where: short stacking energy: -333.682 Base-Backbone interact. energy: -1.845 local terms energy: -367.772847 where: bonds (distance) C4'-P energy: -69.618 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -77.563 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1120.641122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.641122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.641122 (E_RNA) where: Base-Base interactions energy: -763.039 where: short stacking energy: -325.456 Base-Backbone interact. energy: -0.438 local terms energy: -357.163934 where: bonds (distance) C4'-P energy: -61.975 bonds (distance) P-C4' energy: -58.861 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -57.528 tors. eta vs tors. theta energy: -105.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1058.530519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.530519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.530519 (E_RNA) where: Base-Base interactions energy: -721.231 where: short stacking energy: -317.028 Base-Backbone interact. energy: -0.395 local terms energy: -336.904912 where: bonds (distance) C4'-P energy: -66.714 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -76.852 flat angles P-C4'-P energy: -43.914 tors. eta vs tors. theta energy: -88.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1035.719633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.719633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.719633 (E_RNA) where: Base-Base interactions energy: -715.734 where: short stacking energy: -290.257 Base-Backbone interact. energy: -1.258 local terms energy: -318.727520 where: bonds (distance) C4'-P energy: -53.867 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -72.120 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -93.789 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: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -855.297795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.297795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.297795 (E_RNA) where: Base-Base interactions energy: -593.519 where: short stacking energy: -221.794 Base-Backbone interact. energy: -1.111 local terms energy: -260.667537 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -56.243 flat angles P-C4'-P energy: -28.024 tors. eta vs tors. theta energy: -54.724 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: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -849.595181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.595181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.595181 (E_RNA) where: Base-Base interactions energy: -574.827 where: short stacking energy: -232.400 Base-Backbone interact. energy: 2.707 local terms energy: -277.476057 where: bonds (distance) C4'-P energy: -54.928 bonds (distance) P-C4' energy: -45.644 flat angles C4'-P-C4' energy: -76.887 flat angles P-C4'-P energy: -33.469 tors. eta vs tors. theta energy: -66.547 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: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -609.228028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.228028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.228028 (E_RNA) where: Base-Base interactions energy: -386.486 where: short stacking energy: -171.231 Base-Backbone interact. energy: 4.590 local terms energy: -227.332084 where: bonds (distance) C4'-P energy: -62.855 bonds (distance) P-C4' energy: -60.325 flat angles C4'-P-C4' energy: -54.026 flat angles P-C4'-P energy: -22.574 tors. eta vs tors. theta energy: -27.552 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -537.162688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.162688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.162688 (E_RNA) where: Base-Base interactions energy: -337.616 where: short stacking energy: -169.889 Base-Backbone interact. energy: -0.339 local terms energy: -199.206903 where: bonds (distance) C4'-P energy: -40.209 bonds (distance) P-C4' energy: -47.865 flat angles C4'-P-C4' energy: -50.027 flat angles P-C4'-P energy: -38.349 tors. eta vs tors. theta energy: -22.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -319.633580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.633580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.633580 (E_RNA) where: Base-Base interactions energy: -124.020 where: short stacking energy: -108.863 Base-Backbone interact. energy: 0.541 local terms energy: -196.154412 where: bonds (distance) C4'-P energy: -58.444 bonds (distance) P-C4' energy: -55.613 flat angles C4'-P-C4' energy: -51.303 flat angles P-C4'-P energy: -29.203 tors. eta vs tors. theta energy: -1.591 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: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -285.590934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.590934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.590934 (E_RNA) where: Base-Base interactions energy: -89.464 where: short stacking energy: -75.738 Base-Backbone interact. energy: -0.474 local terms energy: -195.652905 where: bonds (distance) C4'-P energy: -45.138 bonds (distance) P-C4' energy: -52.790 flat angles C4'-P-C4' energy: -62.441 flat angles P-C4'-P energy: -35.029 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1149.668083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.668083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.668083 (E_RNA) where: Base-Base interactions energy: -792.319 where: short stacking energy: -318.596 Base-Backbone interact. energy: 0.713 local terms energy: -358.061808 where: bonds (distance) C4'-P energy: -67.531 bonds (distance) P-C4' energy: -63.799 flat angles C4'-P-C4' energy: -68.630 flat angles P-C4'-P energy: -55.345 tors. eta vs tors. theta energy: -102.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1062.228095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.228095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.228095 (E_RNA) where: Base-Base interactions energy: -740.642 where: short stacking energy: -307.916 Base-Backbone interact. energy: -0.396 local terms energy: -321.189767 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -67.382 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -81.900 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: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1093.439292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.439292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.439292 (E_RNA) where: Base-Base interactions energy: -744.413 where: short stacking energy: -303.742 Base-Backbone interact. energy: -1.602 local terms energy: -347.423809 where: bonds (distance) C4'-P energy: -65.225 bonds (distance) P-C4' energy: -68.192 flat angles C4'-P-C4' energy: -75.435 flat angles P-C4'-P energy: -43.171 tors. eta vs tors. theta energy: -95.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1063.192328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.192328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.192328 (E_RNA) where: Base-Base interactions energy: -745.883 where: short stacking energy: -299.902 Base-Backbone interact. energy: -1.533 local terms energy: -315.776271 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -62.034 flat angles C4'-P-C4' energy: -65.920 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: -90.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -867.420674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.420674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.420674 (E_RNA) where: Base-Base interactions energy: -581.110 where: short stacking energy: -229.903 Base-Backbone interact. energy: -2.558 local terms energy: -283.752765 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -62.555 flat angles C4'-P-C4' energy: -72.712 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -52.821 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: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -842.995310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.995310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.995310 (E_RNA) where: Base-Base interactions energy: -553.531 where: short stacking energy: -215.668 Base-Backbone interact. energy: -0.353 local terms energy: -289.111461 where: bonds (distance) C4'-P energy: -61.085 bonds (distance) P-C4' energy: -60.827 flat angles C4'-P-C4' energy: -64.511 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -61.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -610.272065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.272065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.272065 (E_RNA) where: Base-Base interactions energy: -372.040 where: short stacking energy: -169.683 Base-Backbone interact. energy: -0.915 local terms energy: -237.317738 where: bonds (distance) C4'-P energy: -63.955 bonds (distance) P-C4' energy: -53.602 flat angles C4'-P-C4' energy: -49.687 flat angles P-C4'-P energy: -39.185 tors. eta vs tors. theta energy: -30.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -564.950960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.950960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.950960 (E_RNA) where: Base-Base interactions energy: -329.868 where: short stacking energy: -165.235 Base-Backbone interact. energy: -2.098 local terms energy: -232.984870 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -52.834 flat angles C4'-P-C4' energy: -58.193 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -25.994 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: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -307.619629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.619629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.619629 (E_RNA) where: Base-Base interactions energy: -125.256 where: short stacking energy: -76.162 Base-Backbone interact. energy: 2.458 local terms energy: -184.821343 where: bonds (distance) C4'-P energy: -52.668 bonds (distance) P-C4' energy: -64.116 flat angles C4'-P-C4' energy: -36.833 flat angles P-C4'-P energy: -36.670 tors. eta vs tors. theta energy: 5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -270.310023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.310023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.310023 (E_RNA) where: Base-Base interactions energy: -99.372 where: short stacking energy: -66.040 Base-Backbone interact. energy: 0.527 local terms energy: -171.464462 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -50.124 flat angles C4'-P-C4' energy: -49.443 flat angles P-C4'-P energy: -22.363 tors. eta vs tors. theta energy: 7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1145.197423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.197423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.197423 (E_RNA) where: Base-Base interactions energy: -787.088 where: short stacking energy: -318.753 Base-Backbone interact. energy: -1.324 local terms energy: -356.785120 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -77.138 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -102.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1078.274694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.274694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.274694 (E_RNA) where: Base-Base interactions energy: -743.988 where: short stacking energy: -309.543 Base-Backbone interact. energy: -0.745 local terms energy: -333.541147 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -70.409 flat angles P-C4'-P energy: -44.248 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: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1079.557872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.557872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.557872 (E_RNA) where: Base-Base interactions energy: -754.841 where: short stacking energy: -305.463 Base-Backbone interact. energy: 1.889 local terms energy: -326.606338 where: bonds (distance) C4'-P energy: -63.345 bonds (distance) P-C4' energy: -69.277 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -85.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1081.761257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.761257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.761257 (E_RNA) where: Base-Base interactions energy: -737.191 where: short stacking energy: -307.998 Base-Backbone interact. energy: 0.894 local terms energy: -345.464233 where: bonds (distance) C4'-P energy: -66.590 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -72.310 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -91.790 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: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -901.376807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.376807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.376807 (E_RNA) where: Base-Base interactions energy: -618.581 where: short stacking energy: -256.625 Base-Backbone interact. energy: -0.181 local terms energy: -282.614749 where: bonds (distance) C4'-P energy: -59.667 bonds (distance) P-C4' energy: -51.340 flat angles C4'-P-C4' energy: -63.415 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -63.692 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: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -829.056865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.056865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.056865 (E_RNA) where: Base-Base interactions energy: -551.131 where: short stacking energy: -246.570 Base-Backbone interact. energy: 0.743 local terms energy: -278.668567 where: bonds (distance) C4'-P energy: -46.410 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -71.222 flat angles P-C4'-P energy: -39.853 tors. eta vs tors. theta energy: -59.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -561.143819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.143819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.143819 (E_RNA) where: Base-Base interactions energy: -306.554 where: short stacking energy: -144.304 Base-Backbone interact. energy: 0.744 local terms energy: -255.333229 where: bonds (distance) C4'-P energy: -47.168 bonds (distance) P-C4' energy: -66.184 flat angles C4'-P-C4' energy: -61.749 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -37.183 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: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -580.358725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.358725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.358725 (E_RNA) where: Base-Base interactions energy: -377.535 where: short stacking energy: -164.079 Base-Backbone interact. energy: -1.068 local terms energy: -201.755540 where: bonds (distance) C4'-P energy: -53.965 bonds (distance) P-C4' energy: -62.785 flat angles C4'-P-C4' energy: -39.655 flat angles P-C4'-P energy: -24.698 tors. eta vs tors. theta energy: -20.653 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: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -300.213607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.213607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.213607 (E_RNA) where: Base-Base interactions energy: -121.676 where: short stacking energy: -96.551 Base-Backbone interact. energy: -0.202 local terms energy: -178.335500 where: bonds (distance) C4'-P energy: -43.143 bonds (distance) P-C4' energy: -60.552 flat angles C4'-P-C4' energy: -49.845 flat angles P-C4'-P energy: -20.292 tors. eta vs tors. theta energy: -4.504 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: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -262.595619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.595619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.595619 (E_RNA) where: Base-Base interactions energy: -85.614 where: short stacking energy: -69.208 Base-Backbone interact. energy: 2.475 local terms energy: -179.456555 where: bonds (distance) C4'-P energy: -56.824 bonds (distance) P-C4' energy: -43.138 flat angles C4'-P-C4' energy: -59.097 flat angles P-C4'-P energy: -20.654 tors. eta vs tors. theta energy: 0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1153.673507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.673507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.673507 (E_RNA) where: Base-Base interactions energy: -796.998 where: short stacking energy: -341.106 Base-Backbone interact. energy: 2.665 local terms energy: -359.340622 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: -106.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1129.038524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.038524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.038524 (E_RNA) where: Base-Base interactions energy: -768.864 where: short stacking energy: -322.875 Base-Backbone interact. energy: -0.769 local terms energy: -359.406168 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -47.690 tors. eta vs tors. theta energy: -101.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1043.926216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.926216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.926216 (E_RNA) where: Base-Base interactions energy: -723.595 where: short stacking energy: -298.079 Base-Backbone interact. energy: -0.583 local terms energy: -319.748575 where: bonds (distance) C4'-P energy: -62.676 bonds (distance) P-C4' energy: -55.363 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -44.908 tors. eta vs tors. theta energy: -81.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1093.886525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.886525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.886525 (E_RNA) where: Base-Base interactions energy: -752.721 where: short stacking energy: -300.287 Base-Backbone interact. energy: -0.563 local terms energy: -340.602438 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -53.922 flat angles C4'-P-C4' energy: -70.467 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -96.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -919.886176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.886176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.886176 (E_RNA) where: Base-Base interactions energy: -635.462 where: short stacking energy: -250.531 Base-Backbone interact. energy: 0.840 local terms energy: -285.264458 where: bonds (distance) C4'-P energy: -61.622 bonds (distance) P-C4' energy: -47.782 flat angles C4'-P-C4' energy: -62.201 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -70.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -832.412869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.412869 (E_RNA) where: Base-Base interactions energy: -541.357 where: short stacking energy: -218.613 Base-Backbone interact. energy: 0.656 local terms energy: -291.711417 where: bonds (distance) C4'-P energy: -56.180 bonds (distance) P-C4' energy: -65.232 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -61.981 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: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -552.840151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.840151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.840151 (E_RNA) where: Base-Base interactions energy: -325.201 where: short stacking energy: -171.211 Base-Backbone interact. energy: 0.083 local terms energy: -227.722115 where: bonds (distance) C4'-P energy: -45.666 bonds (distance) P-C4' energy: -55.272 flat angles C4'-P-C4' energy: -61.246 flat angles P-C4'-P energy: -33.523 tors. eta vs tors. theta energy: -32.015 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -577.154055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.154055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.154055 (E_RNA) where: Base-Base interactions energy: -349.107 where: short stacking energy: -158.391 Base-Backbone interact. energy: -0.673 local terms energy: -227.374561 where: bonds (distance) C4'-P energy: -64.745 bonds (distance) P-C4' energy: -56.267 flat angles C4'-P-C4' energy: -49.440 flat angles P-C4'-P energy: -34.814 tors. eta vs tors. theta energy: -22.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -287.417741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.417741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.417741 (E_RNA) where: Base-Base interactions energy: -116.375 where: short stacking energy: -94.690 Base-Backbone interact. energy: -0.802 local terms energy: -170.241449 where: bonds (distance) C4'-P energy: -46.121 bonds (distance) P-C4' energy: -49.013 flat angles C4'-P-C4' energy: -44.855 flat angles P-C4'-P energy: -33.938 tors. eta vs tors. theta energy: 3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -262.065025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.065025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.065025 (E_RNA) where: Base-Base interactions energy: -118.568 where: short stacking energy: -81.008 Base-Backbone interact. energy: -1.149 local terms energy: -142.348825 where: bonds (distance) C4'-P energy: -51.887 bonds (distance) P-C4' energy: -53.428 flat angles C4'-P-C4' energy: -40.104 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: 7.016 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: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1150.550572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.550572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.550572 (E_RNA) where: Base-Base interactions energy: -796.371 where: short stacking energy: -343.385 Base-Backbone interact. energy: -2.393 local terms energy: -351.785733 where: bonds (distance) C4'-P energy: -58.915 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -70.711 flat angles P-C4'-P energy: -45.981 tors. eta vs tors. theta energy: -106.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1129.715804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.715804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.715804 (E_RNA) where: Base-Base interactions energy: -763.349 where: short stacking energy: -339.511 Base-Backbone interact. energy: -0.623 local terms energy: -365.743248 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -65.392 flat angles C4'-P-C4' energy: -73.638 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -102.617 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: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1064.944072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.944072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.944072 (E_RNA) where: Base-Base interactions energy: -734.107 where: short stacking energy: -285.997 Base-Backbone interact. energy: -1.036 local terms energy: -329.801910 where: bonds (distance) C4'-P energy: -65.493 bonds (distance) P-C4' energy: -62.138 flat angles C4'-P-C4' energy: -68.013 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -83.771 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: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1016.123398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.123398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.123398 (E_RNA) where: Base-Base interactions energy: -690.561 where: short stacking energy: -295.696 Base-Backbone interact. energy: -0.455 local terms energy: -325.106869 where: bonds (distance) C4'-P energy: -56.619 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -71.803 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -91.669 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: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -900.672738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.672738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.672738 (E_RNA) where: Base-Base interactions energy: -599.375 where: short stacking energy: -249.280 Base-Backbone interact. energy: -0.386 local terms energy: -300.911045 where: bonds (distance) C4'-P energy: -64.849 bonds (distance) P-C4' energy: -58.309 flat angles C4'-P-C4' energy: -57.569 flat angles P-C4'-P energy: -48.370 tors. eta vs tors. theta energy: -71.814 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: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -841.633221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.633221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.633221 (E_RNA) where: Base-Base interactions energy: -567.363 where: short stacking energy: -242.839 Base-Backbone interact. energy: -0.703 local terms energy: -273.567307 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -56.238 flat angles P-C4'-P energy: -32.171 tors. eta vs tors. theta energy: -58.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -577.989395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.989395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.989395 (E_RNA) where: Base-Base interactions energy: -348.231 where: short stacking energy: -151.919 Base-Backbone interact. energy: 0.697 local terms energy: -230.456113 where: bonds (distance) C4'-P energy: -51.357 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -54.680 flat angles P-C4'-P energy: -33.011 tors. eta vs tors. theta energy: -28.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -569.846507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.846507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.846507 (E_RNA) where: Base-Base interactions energy: -326.919 where: short stacking energy: -161.677 Base-Backbone interact. energy: -2.146 local terms energy: -240.781707 where: bonds (distance) C4'-P energy: -46.281 bonds (distance) P-C4' energy: -61.876 flat angles C4'-P-C4' energy: -44.157 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -41.463 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: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -292.136900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.136900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.136900 (E_RNA) where: Base-Base interactions energy: -122.131 where: short stacking energy: -76.465 Base-Backbone interact. energy: -1.395 local terms energy: -168.611436 where: bonds (distance) C4'-P energy: -52.370 bonds (distance) P-C4' energy: -63.818 flat angles C4'-P-C4' energy: -33.908 flat angles P-C4'-P energy: -24.696 tors. eta vs tors. theta energy: 6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -295.473205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.473205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.473205 (E_RNA) where: Base-Base interactions energy: -119.243 where: short stacking energy: -89.943 Base-Backbone interact. energy: -1.512 local terms energy: -174.718265 where: bonds (distance) C4'-P energy: -51.447 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -48.619 flat angles P-C4'-P energy: -25.873 tors. eta vs tors. theta energy: 10.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1163.997840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.997840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.997840 (E_RNA) where: Base-Base interactions energy: -797.432 where: short stacking energy: -318.264 Base-Backbone interact. energy: -2.314 local terms energy: -364.252622 where: bonds (distance) C4'-P energy: -73.290 bonds (distance) P-C4' energy: -68.798 flat angles C4'-P-C4' energy: -75.089 flat angles P-C4'-P energy: -50.501 tors. eta vs tors. theta energy: -96.574 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: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1111.315063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.315063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.315063 (E_RNA) where: Base-Base interactions energy: -745.991 where: short stacking energy: -319.948 Base-Backbone interact. energy: -2.108 local terms energy: -363.216626 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -78.087 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -99.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1086.608565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.608565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.608565 (E_RNA) where: Base-Base interactions energy: -745.595 where: short stacking energy: -296.020 Base-Backbone interact. energy: -1.930 local terms energy: -339.083405 where: bonds (distance) C4'-P energy: -68.090 bonds (distance) P-C4' energy: -62.390 flat angles C4'-P-C4' energy: -73.876 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -89.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1022.565628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.565628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.565628 (E_RNA) where: Base-Base interactions energy: -700.119 where: short stacking energy: -294.211 Base-Backbone interact. energy: -1.459 local terms energy: -320.988121 where: bonds (distance) C4'-P energy: -51.729 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: -83.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -878.232135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.232135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.232135 (E_RNA) where: Base-Base interactions energy: -589.359 where: short stacking energy: -247.870 Base-Backbone interact. energy: 0.486 local terms energy: -289.359295 where: bonds (distance) C4'-P energy: -59.165 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -67.024 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -57.754 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: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -902.443769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.443769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.443769 (E_RNA) where: Base-Base interactions energy: -608.926 where: short stacking energy: -245.229 Base-Backbone interact. energy: 1.426 local terms energy: -294.943370 where: bonds (distance) C4'-P energy: -53.370 bonds (distance) P-C4' energy: -55.508 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -70.475 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: 103 Temperature: 1.200000 Total energy: -586.119528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.119528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.119528 (E_RNA) where: Base-Base interactions energy: -362.257 where: short stacking energy: -154.819 Base-Backbone interact. energy: -0.607 local terms energy: -223.255906 where: bonds (distance) C4'-P energy: -57.416 bonds (distance) P-C4' energy: -45.992 flat angles C4'-P-C4' energy: -63.533 flat angles P-C4'-P energy: -33.866 tors. eta vs tors. theta energy: -22.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -542.126243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.126243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.126243 (E_RNA) where: Base-Base interactions energy: -335.873 where: short stacking energy: -167.265 Base-Backbone interact. energy: -1.630 local terms energy: -204.622631 where: bonds (distance) C4'-P energy: -50.175 bonds (distance) P-C4' energy: -46.392 flat angles C4'-P-C4' energy: -54.612 flat angles P-C4'-P energy: -28.316 tors. eta vs tors. theta energy: -25.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -289.040628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.040628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.040628 (E_RNA) where: Base-Base interactions energy: -135.822 where: short stacking energy: -102.286 Base-Backbone interact. energy: -1.451 local terms energy: -151.767910 where: bonds (distance) C4'-P energy: -44.695 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -48.887 flat angles P-C4'-P energy: -15.912 tors. eta vs tors. theta energy: 13.785 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: 6 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -265.069462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.069462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.069462 (E_RNA) where: Base-Base interactions energy: -86.791 where: short stacking energy: -75.490 Base-Backbone interact. energy: -1.190 local terms energy: -177.088751 where: bonds (distance) C4'-P energy: -58.351 bonds (distance) P-C4' energy: -56.675 flat angles C4'-P-C4' energy: -49.191 flat angles P-C4'-P energy: -22.207 tors. eta vs tors. theta energy: 9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1173.121578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.121578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.121578 (E_RNA) where: Base-Base interactions energy: -810.659 where: short stacking energy: -301.770 Base-Backbone interact. energy: -0.282 local terms energy: -362.180366 where: bonds (distance) C4'-P energy: -60.902 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -79.948 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -99.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1143.506348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.506348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.506348 (E_RNA) where: Base-Base interactions energy: -791.840 where: short stacking energy: -336.283 Base-Backbone interact. energy: 0.061 local terms energy: -351.727303 where: bonds (distance) C4'-P energy: -62.839 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -67.943 flat angles P-C4'-P energy: -48.328 tors. eta vs tors. theta energy: -102.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1078.528997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.528997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.528997 (E_RNA) where: Base-Base interactions energy: -744.300 where: short stacking energy: -301.964 Base-Backbone interact. energy: -1.965 local terms energy: -332.263920 where: bonds (distance) C4'-P energy: -63.786 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -85.795 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: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1029.706702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.706702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.706702 (E_RNA) where: Base-Base interactions energy: -691.390 where: short stacking energy: -280.057 Base-Backbone interact. energy: -0.383 local terms energy: -337.933152 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -70.821 flat angles C4'-P-C4' energy: -65.794 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: -88.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -922.787826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.787826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.787826 (E_RNA) where: Base-Base interactions energy: -609.116 where: short stacking energy: -229.382 Base-Backbone interact. energy: -1.964 local terms energy: -311.708181 where: bonds (distance) C4'-P energy: -62.541 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -37.696 tors. eta vs tors. theta energy: -70.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -843.403056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.403056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.403056 (E_RNA) where: Base-Base interactions energy: -560.506 where: short stacking energy: -240.865 Base-Backbone interact. energy: -0.916 local terms energy: -281.980732 where: bonds (distance) C4'-P energy: -59.002 bonds (distance) P-C4' energy: -65.531 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -41.366 tors. eta vs tors. theta energy: -57.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -590.174842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.174842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.174842 (E_RNA) where: Base-Base interactions energy: -350.698 where: short stacking energy: -175.112 Base-Backbone interact. energy: -1.030 local terms energy: -238.446544 where: bonds (distance) C4'-P energy: -57.844 bonds (distance) P-C4' energy: -62.387 flat angles C4'-P-C4' energy: -58.311 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -26.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -582.777557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.777557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.777557 (E_RNA) where: Base-Base interactions energy: -358.167 where: short stacking energy: -175.609 Base-Backbone interact. energy: -1.905 local terms energy: -222.705661 where: bonds (distance) C4'-P energy: -45.094 bonds (distance) P-C4' energy: -57.492 flat angles C4'-P-C4' energy: -51.420 flat angles P-C4'-P energy: -25.804 tors. eta vs tors. theta energy: -42.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -327.806370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.806370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.806370 (E_RNA) where: Base-Base interactions energy: -125.736 where: short stacking energy: -84.687 Base-Backbone interact. energy: 15.499 local terms energy: -217.569407 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -59.650 flat angles C4'-P-C4' energy: -60.194 flat angles P-C4'-P energy: -34.141 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -295.661631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.661631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.661631 (E_RNA) where: Base-Base interactions energy: -115.614 where: short stacking energy: -72.660 Base-Backbone interact. energy: -0.814 local terms energy: -179.233647 where: bonds (distance) C4'-P energy: -53.781 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -50.209 flat angles P-C4'-P energy: -17.831 tors. eta vs tors. theta energy: 6.298 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: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1167.135397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.135397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.135397 (E_RNA) where: Base-Base interactions energy: -815.248 where: short stacking energy: -328.514 Base-Backbone interact. energy: -3.541 local terms energy: -348.346929 where: bonds (distance) C4'-P energy: -51.913 bonds (distance) P-C4' energy: -70.322 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -50.680 tors. eta vs tors. theta energy: -101.931 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: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1133.410766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.410766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.410766 (E_RNA) where: Base-Base interactions energy: -773.954 where: short stacking energy: -313.776 Base-Backbone interact. energy: -0.535 local terms energy: -358.921582 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -76.499 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -48.463 tors. eta vs tors. theta energy: -95.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1095.379761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.379761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.379761 (E_RNA) where: Base-Base interactions energy: -734.861 where: short stacking energy: -297.949 Base-Backbone interact. energy: -3.111 local terms energy: -357.407856 where: bonds (distance) C4'-P energy: -69.624 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -77.630 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -92.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1021.227663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.227663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.227663 (E_RNA) where: Base-Base interactions energy: -703.560 where: short stacking energy: -299.648 Base-Backbone interact. energy: -1.271 local terms energy: -316.396102 where: bonds (distance) C4'-P energy: -51.781 bonds (distance) P-C4' energy: -55.686 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -46.915 tors. eta vs tors. theta energy: -90.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -918.877420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.877420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.877420 (E_RNA) where: Base-Base interactions energy: -629.669 where: short stacking energy: -250.920 Base-Backbone interact. energy: -1.717 local terms energy: -287.492051 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -49.348 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -46.199 tors. eta vs tors. theta energy: -73.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -856.458167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.458167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.458167 (E_RNA) where: Base-Base interactions energy: -575.920 where: short stacking energy: -241.084 Base-Backbone interact. energy: 0.913 local terms energy: -281.450820 where: bonds (distance) C4'-P energy: -63.023 bonds (distance) P-C4' energy: -59.901 flat angles C4'-P-C4' energy: -57.492 flat angles P-C4'-P energy: -42.953 tors. eta vs tors. theta energy: -58.082 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: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -620.586155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.586155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.586155 (E_RNA) where: Base-Base interactions energy: -369.622 where: short stacking energy: -211.134 Base-Backbone interact. energy: -2.205 local terms energy: -248.759125 where: bonds (distance) C4'-P energy: -40.833 bonds (distance) P-C4' energy: -47.188 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -35.581 tors. eta vs tors. theta energy: -55.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -539.620170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.620170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.620170 (E_RNA) where: Base-Base interactions energy: -317.402 where: short stacking energy: -140.500 Base-Backbone interact. energy: 1.584 local terms energy: -223.801284 where: bonds (distance) C4'-P energy: -50.903 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -25.606 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: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -364.433124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.433124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.433124 (E_RNA) where: Base-Base interactions energy: -185.235 where: short stacking energy: -106.461 Base-Backbone interact. energy: -2.945 local terms energy: -176.253317 where: bonds (distance) C4'-P energy: -43.704 bonds (distance) P-C4' energy: -54.540 flat angles C4'-P-C4' energy: -46.141 flat angles P-C4'-P energy: -32.288 tors. eta vs tors. theta energy: 0.419 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: 10, replica: 2 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -269.168355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.168355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.168355 (E_RNA) where: Base-Base interactions energy: -105.008 where: short stacking energy: -67.341 Base-Backbone interact. energy: 0.002 local terms energy: -164.162564 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -48.699 flat angles P-C4'-P energy: -12.598 tors. eta vs tors. theta energy: 10.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1151.939580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.939580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.939580 (E_RNA) where: Base-Base interactions energy: -800.746 where: short stacking energy: -314.126 Base-Backbone interact. energy: -3.364 local terms energy: -347.829518 where: bonds (distance) C4'-P energy: -64.717 bonds (distance) P-C4' energy: -69.456 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -101.812 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: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1112.744448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.744448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.744448 (E_RNA) where: Base-Base interactions energy: -776.286 where: short stacking energy: -311.355 Base-Backbone interact. energy: -0.841 local terms energy: -335.618247 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -46.040 tors. eta vs tors. theta energy: -93.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1079.360528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.360528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.360528 (E_RNA) where: Base-Base interactions energy: -744.983 where: short stacking energy: -311.444 Base-Backbone interact. energy: -0.049 local terms energy: -334.328625 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -62.338 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -100.620 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: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1047.061343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.061343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.061343 (E_RNA) where: Base-Base interactions energy: -719.091 where: short stacking energy: -293.678 Base-Backbone interact. energy: -1.802 local terms energy: -326.168419 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -64.245 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -85.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -928.631158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.631158 (E_RNA) where: Base-Base interactions energy: -621.867 where: short stacking energy: -266.276 Base-Backbone interact. energy: 0.042 local terms energy: -306.806012 where: bonds (distance) C4'-P energy: -48.938 bonds (distance) P-C4' energy: -61.866 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -85.483 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -855.860620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.860620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.860620 (E_RNA) where: Base-Base interactions energy: -581.483 where: short stacking energy: -223.196 Base-Backbone interact. energy: -1.935 local terms energy: -272.442747 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -56.668 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: -52.693 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: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -604.974972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.974972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.974972 (E_RNA) where: Base-Base interactions energy: -387.462 where: short stacking energy: -164.619 Base-Backbone interact. energy: -1.342 local terms energy: -216.171637 where: bonds (distance) C4'-P energy: -50.802 bonds (distance) P-C4' energy: -54.837 flat angles C4'-P-C4' energy: -45.936 flat angles P-C4'-P energy: -35.542 tors. eta vs tors. theta energy: -29.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -485.298053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.298053 (E_RNA) where: Base-Base interactions energy: -273.421 where: short stacking energy: -123.085 Base-Backbone interact. energy: -1.463 local terms energy: -210.414723 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -64.537 flat angles C4'-P-C4' energy: -46.654 flat angles P-C4'-P energy: -24.539 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -356.238819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.238819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.238819 (E_RNA) where: Base-Base interactions energy: -159.124 where: short stacking energy: -93.353 Base-Backbone interact. energy: -2.123 local terms energy: -194.991853 where: bonds (distance) C4'-P energy: -56.663 bonds (distance) P-C4' energy: -62.258 flat angles C4'-P-C4' energy: -44.972 flat angles P-C4'-P energy: -30.543 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -263.860359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.860359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.860359 (E_RNA) where: Base-Base interactions energy: -90.845 where: short stacking energy: -67.447 Base-Backbone interact. energy: 0.012 local terms energy: -173.026666 where: bonds (distance) C4'-P energy: -54.647 bonds (distance) P-C4' energy: -46.721 flat angles C4'-P-C4' energy: -51.832 flat angles P-C4'-P energy: -33.834 tors. eta vs tors. theta energy: 14.008 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: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1179.096584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.096584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.096584 (E_RNA) where: Base-Base interactions energy: -809.606 where: short stacking energy: -336.563 Base-Backbone interact. energy: -1.584 local terms energy: -367.906264 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -68.387 flat angles C4'-P-C4' energy: -70.181 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -104.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1093.505955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.505955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.505955 (E_RNA) where: Base-Base interactions energy: -754.622 where: short stacking energy: -302.694 Base-Backbone interact. energy: -1.013 local terms energy: -337.871126 where: bonds (distance) C4'-P energy: -63.332 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -74.414 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -94.713 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: 107 Temperature: 1.000000 Total energy: -1098.218406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.218406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.218406 (E_RNA) where: Base-Base interactions energy: -774.704 where: short stacking energy: -314.729 Base-Backbone interact. energy: -1.178 local terms energy: -322.336324 where: bonds (distance) C4'-P energy: -60.220 bonds (distance) P-C4' energy: -53.689 flat angles C4'-P-C4' energy: -68.236 flat angles P-C4'-P energy: -42.569 tors. eta vs tors. theta energy: -97.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1040.866088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.866088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.866088 (E_RNA) where: Base-Base interactions energy: -704.315 where: short stacking energy: -299.683 Base-Backbone interact. energy: -1.232 local terms energy: -335.319804 where: bonds (distance) C4'-P energy: -54.144 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -89.882 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: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -926.278932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.278932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.278932 (E_RNA) where: Base-Base interactions energy: -641.544 where: short stacking energy: -248.335 Base-Backbone interact. energy: 0.834 local terms energy: -285.569214 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -51.522 flat angles C4'-P-C4' energy: -65.584 flat angles P-C4'-P energy: -36.702 tors. eta vs tors. theta energy: -70.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -855.132140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.132140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.132140 (E_RNA) where: Base-Base interactions energy: -562.936 where: short stacking energy: -226.990 Base-Backbone interact. energy: -0.606 local terms energy: -291.589651 where: bonds (distance) C4'-P energy: -64.208 bonds (distance) P-C4' energy: -56.664 flat angles C4'-P-C4' energy: -70.297 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -60.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -603.824535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.824535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.824535 (E_RNA) where: Base-Base interactions energy: -358.077 where: short stacking energy: -160.056 Base-Backbone interact. energy: 0.373 local terms energy: -246.119951 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -54.654 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -31.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -463.133066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.133066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.133066 (E_RNA) where: Base-Base interactions energy: -257.026 where: short stacking energy: -136.209 Base-Backbone interact. energy: 4.822 local terms energy: -210.928658 where: bonds (distance) C4'-P energy: -47.313 bonds (distance) P-C4' energy: -61.996 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -395.443322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.443322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.443322 (E_RNA) where: Base-Base interactions energy: -192.182 where: short stacking energy: -107.310 Base-Backbone interact. energy: -0.220 local terms energy: -203.041655 where: bonds (distance) C4'-P energy: -52.347 bonds (distance) P-C4' energy: -57.670 flat angles C4'-P-C4' energy: -47.219 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -302.160242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.160242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.160242 (E_RNA) where: Base-Base interactions energy: -123.340 where: short stacking energy: -89.074 Base-Backbone interact. energy: -0.618 local terms energy: -178.201752 where: bonds (distance) C4'-P energy: -50.555 bonds (distance) P-C4' energy: -53.997 flat angles C4'-P-C4' energy: -43.779 flat angles P-C4'-P energy: -24.405 tors. eta vs tors. theta energy: -5.466 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: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1174.761997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.761997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.761997 (E_RNA) where: Base-Base interactions energy: -811.346 where: short stacking energy: -330.223 Base-Backbone interact. energy: -4.161 local terms energy: -359.255693 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -52.831 flat angles C4'-P-C4' energy: -78.074 flat angles P-C4'-P energy: -57.203 tors. eta vs tors. theta energy: -101.549 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: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1098.840331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.840331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.840331 (E_RNA) where: Base-Base interactions energy: -747.511 where: short stacking energy: -294.846 Base-Backbone interact. energy: -2.864 local terms energy: -348.464742 where: bonds (distance) C4'-P energy: -63.073 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -84.532 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -86.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1102.179142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.179142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.179142 (E_RNA) where: Base-Base interactions energy: -759.352 where: short stacking energy: -301.563 Base-Backbone interact. energy: -0.364 local terms energy: -342.463325 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -66.021 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -50.234 tors. eta vs tors. theta energy: -90.770 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: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1036.666033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.666033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.666033 (E_RNA) where: Base-Base interactions energy: -714.584 where: short stacking energy: -303.056 Base-Backbone interact. energy: 1.254 local terms energy: -323.335640 where: bonds (distance) C4'-P energy: -51.488 bonds (distance) P-C4' energy: -72.128 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -36.924 tors. eta vs tors. theta energy: -92.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -909.511902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.511902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.511902 (E_RNA) where: Base-Base interactions energy: -608.800 where: short stacking energy: -255.288 Base-Backbone interact. energy: 0.610 local terms energy: -301.321531 where: bonds (distance) C4'-P energy: -49.372 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -66.190 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: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -863.646423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.646423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.646423 (E_RNA) where: Base-Base interactions energy: -577.283 where: short stacking energy: -245.992 Base-Backbone interact. energy: -1.748 local terms energy: -284.615658 where: bonds (distance) C4'-P energy: -58.921 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -39.773 tors. eta vs tors. theta energy: -60.237 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: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -567.689592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.689592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.689592 (E_RNA) where: Base-Base interactions energy: -342.708 where: short stacking energy: -157.042 Base-Backbone interact. energy: -1.024 local terms energy: -223.957597 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -64.759 flat angles P-C4'-P energy: -31.642 tors. eta vs tors. theta energy: -12.459 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: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -539.187373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.187373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.187373 (E_RNA) where: Base-Base interactions energy: -314.562 where: short stacking energy: -157.701 Base-Backbone interact. energy: -0.975 local terms energy: -223.650518 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -52.736 flat angles C4'-P-C4' energy: -45.115 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: -18.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -353.734663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.734663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.734663 (E_RNA) where: Base-Base interactions energy: -169.944 where: short stacking energy: -99.457 Base-Backbone interact. energy: -2.740 local terms energy: -181.050496 where: bonds (distance) C4'-P energy: -54.913 bonds (distance) P-C4' energy: -46.970 flat angles C4'-P-C4' energy: -53.480 flat angles P-C4'-P energy: -23.786 tors. eta vs tors. theta energy: -1.902 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: 10, replica: 2 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -270.388248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.388248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.388248 (E_RNA) where: Base-Base interactions energy: -88.733 where: short stacking energy: -64.541 Base-Backbone interact. energy: -1.497 local terms energy: -180.157997 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -46.908 flat angles P-C4'-P energy: -21.546 tors. eta vs tors. theta energy: 12.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1173.963711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.963711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.963711 (E_RNA) where: Base-Base interactions energy: -816.832 where: short stacking energy: -326.417 Base-Backbone interact. energy: -3.260 local terms energy: -353.871683 where: bonds (distance) C4'-P energy: -64.729 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -68.855 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -98.907 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: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1147.730151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.730151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.730151 (E_RNA) where: Base-Base interactions energy: -797.489 where: short stacking energy: -327.347 Base-Backbone interact. energy: 0.052 local terms energy: -350.293254 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -69.828 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -50.345 tors. eta vs tors. theta energy: -101.704 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: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1115.766897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.766897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.766897 (E_RNA) where: Base-Base interactions energy: -776.445 where: short stacking energy: -302.132 Base-Backbone interact. energy: -0.453 local terms energy: -338.868306 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -66.101 flat angles C4'-P-C4' energy: -80.112 flat angles P-C4'-P energy: -42.981 tors. eta vs tors. theta energy: -98.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1000.291485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.291485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.291485 (E_RNA) where: Base-Base interactions energy: -674.970 where: short stacking energy: -272.671 Base-Backbone interact. energy: -1.565 local terms energy: -323.757200 where: bonds (distance) C4'-P energy: -56.694 bonds (distance) P-C4' energy: -66.775 flat angles C4'-P-C4' energy: -66.607 flat angles P-C4'-P energy: -42.443 tors. eta vs tors. theta energy: -91.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -913.010587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.010587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.010587 (E_RNA) where: Base-Base interactions energy: -604.521 where: short stacking energy: -244.703 Base-Backbone interact. energy: -1.531 local terms energy: -306.958497 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -59.744 flat angles C4'-P-C4' energy: -73.131 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -64.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -825.924499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.924499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.924499 (E_RNA) where: Base-Base interactions energy: -552.569 where: short stacking energy: -230.029 Base-Backbone interact. energy: -2.391 local terms energy: -270.965005 where: bonds (distance) C4'-P energy: -62.427 bonds (distance) P-C4' energy: -57.662 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -27.452 tors. eta vs tors. theta energy: -61.273 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: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -591.327152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.327152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.327152 (E_RNA) where: Base-Base interactions energy: -367.289 where: short stacking energy: -154.553 Base-Backbone interact. energy: -0.408 local terms energy: -223.630475 where: bonds (distance) C4'-P energy: -61.456 bonds (distance) P-C4' energy: -53.748 flat angles C4'-P-C4' energy: -51.594 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: -18.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -571.877138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.877138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.877138 (E_RNA) where: Base-Base interactions energy: -326.267 where: short stacking energy: -172.252 Base-Backbone interact. energy: -1.633 local terms energy: -243.976973 where: bonds (distance) C4'-P energy: -58.162 bonds (distance) P-C4' energy: -58.165 flat angles C4'-P-C4' energy: -56.405 flat angles P-C4'-P energy: -32.996 tors. eta vs tors. theta energy: -38.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -400.396437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.396437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.396437 (E_RNA) where: Base-Base interactions energy: -186.172 where: short stacking energy: -120.196 Base-Backbone interact. energy: -0.813 local terms energy: -213.411427 where: bonds (distance) C4'-P energy: -49.167 bonds (distance) P-C4' energy: -57.752 flat angles C4'-P-C4' energy: -57.859 flat angles P-C4'-P energy: -36.447 tors. eta vs tors. theta energy: -12.186 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: 2 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -285.235778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.235778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.235778 (E_RNA) where: Base-Base interactions energy: -94.915 where: short stacking energy: -76.237 Base-Backbone interact. energy: 0.035 local terms energy: -190.355563 where: bonds (distance) C4'-P energy: -44.977 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -56.941 flat angles P-C4'-P energy: -33.060 tors. eta vs tors. theta energy: 2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1169.914780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.914780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.914780 (E_RNA) where: Base-Base interactions energy: -811.664 where: short stacking energy: -325.226 Base-Backbone interact. energy: 0.190 local terms energy: -358.439883 where: bonds (distance) C4'-P energy: -65.315 bonds (distance) P-C4' energy: -69.847 flat angles C4'-P-C4' energy: -78.741 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -96.530 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: 110 Temperature: 0.950000 Total energy: -1141.545931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.545931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.545931 (E_RNA) where: Base-Base interactions energy: -806.744 where: short stacking energy: -315.804 Base-Backbone interact. energy: -0.053 local terms energy: -334.749421 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -75.867 flat angles P-C4'-P energy: -34.638 tors. eta vs tors. theta energy: -100.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1115.902373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.902373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.902373 (E_RNA) where: Base-Base interactions energy: -754.795 where: short stacking energy: -305.166 Base-Backbone interact. energy: -1.609 local terms energy: -359.498955 where: bonds (distance) C4'-P energy: -73.888 bonds (distance) P-C4' energy: -74.057 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -40.067 tors. eta vs tors. theta energy: -101.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1001.104696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.104696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.104696 (E_RNA) where: Base-Base interactions energy: -693.152 where: short stacking energy: -303.308 Base-Backbone interact. energy: -0.505 local terms energy: -307.448165 where: bonds (distance) C4'-P energy: -48.157 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -70.522 flat angles P-C4'-P energy: -46.096 tors. eta vs tors. theta energy: -85.563 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: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -898.106195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.106195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.106195 (E_RNA) where: Base-Base interactions energy: -598.339 where: short stacking energy: -265.904 Base-Backbone interact. energy: 1.424 local terms energy: -301.190645 where: bonds (distance) C4'-P energy: -59.296 bonds (distance) P-C4' energy: -69.071 flat angles C4'-P-C4' energy: -56.375 flat angles P-C4'-P energy: -40.341 tors. eta vs tors. theta energy: -76.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -785.248766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.248766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.248766 (E_RNA) where: Base-Base interactions energy: -521.431 where: short stacking energy: -236.730 Base-Backbone interact. energy: -0.846 local terms energy: -262.971379 where: bonds (distance) C4'-P energy: -43.046 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -68.521 flat angles P-C4'-P energy: -33.763 tors. eta vs tors. theta energy: -53.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -613.477736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.477736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.477736 (E_RNA) where: Base-Base interactions energy: -371.654 where: short stacking energy: -172.785 Base-Backbone interact. energy: -1.181 local terms energy: -240.643332 where: bonds (distance) C4'-P energy: -56.361 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -61.344 flat angles P-C4'-P energy: -38.848 tors. eta vs tors. theta energy: -27.335 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: 8 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -592.232303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.232303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.232303 (E_RNA) where: Base-Base interactions energy: -357.335 where: short stacking energy: -173.221 Base-Backbone interact. energy: -1.769 local terms energy: -233.128653 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -56.281 flat angles C4'-P-C4' energy: -60.122 flat angles P-C4'-P energy: -32.366 tors. eta vs tors. theta energy: -25.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -381.161123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.161123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.161123 (E_RNA) where: Base-Base interactions energy: -174.647 where: short stacking energy: -100.020 Base-Backbone interact. energy: -1.667 local terms energy: -204.846971 where: bonds (distance) C4'-P energy: -52.782 bonds (distance) P-C4' energy: -56.755 flat angles C4'-P-C4' energy: -57.561 flat angles P-C4'-P energy: -34.432 tors. eta vs tors. theta energy: -3.317 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: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -279.057073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.057073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.057073 (E_RNA) where: Base-Base interactions energy: -102.854 where: short stacking energy: -84.846 Base-Backbone interact. energy: 0.899 local terms energy: -177.102264 where: bonds (distance) C4'-P energy: -55.555 bonds (distance) P-C4' energy: -56.411 flat angles C4'-P-C4' energy: -50.298 flat angles P-C4'-P energy: -20.830 tors. eta vs tors. theta energy: 5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1150.396423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.396423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.396423 (E_RNA) where: Base-Base interactions energy: -784.079 where: short stacking energy: -318.816 Base-Backbone interact. energy: -2.319 local terms energy: -363.998469 where: bonds (distance) C4'-P energy: -64.617 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -81.885 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -99.520 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: 111 Temperature: 0.950000 Total energy: -1160.154234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.154234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.154234 (E_RNA) where: Base-Base interactions energy: -816.791 where: short stacking energy: -318.966 Base-Backbone interact. energy: -1.306 local terms energy: -342.057112 where: bonds (distance) C4'-P energy: -54.413 bonds (distance) P-C4' energy: -63.723 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -45.283 tors. eta vs tors. theta energy: -107.310 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: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1098.749391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.749391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.749391 (E_RNA) where: Base-Base interactions energy: -744.306 where: short stacking energy: -303.841 Base-Backbone interact. energy: 1.170 local terms energy: -355.612706 where: bonds (distance) C4'-P energy: -66.391 bonds (distance) P-C4' energy: -63.933 flat angles C4'-P-C4' energy: -73.438 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -101.493 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1033.561658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.561658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.561658 (E_RNA) where: Base-Base interactions energy: -705.530 where: short stacking energy: -298.235 Base-Backbone interact. energy: -1.498 local terms energy: -326.534012 where: bonds (distance) C4'-P energy: -64.040 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -64.310 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -89.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -914.027603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.027603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.027603 (E_RNA) where: Base-Base interactions energy: -615.516 where: short stacking energy: -263.502 Base-Backbone interact. energy: -2.565 local terms energy: -295.947006 where: bonds (distance) C4'-P energy: -61.596 bonds (distance) P-C4' energy: -62.340 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -65.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -762.711376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.711376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.711376 (E_RNA) where: Base-Base interactions energy: -487.408 where: short stacking energy: -203.050 Base-Backbone interact. energy: -2.233 local terms energy: -273.070212 where: bonds (distance) C4'-P energy: -64.391 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -53.881 flat angles P-C4'-P energy: -41.367 tors. eta vs tors. theta energy: -45.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -619.440740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.440740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.440740 (E_RNA) where: Base-Base interactions energy: -378.928 where: short stacking energy: -181.244 Base-Backbone interact. energy: -0.526 local terms energy: -239.986917 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -45.462 flat angles P-C4'-P energy: -38.542 tors. eta vs tors. theta energy: -37.317 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: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -568.993333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.993333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.993333 (E_RNA) where: Base-Base interactions energy: -330.836 where: short stacking energy: -175.755 Base-Backbone interact. energy: -0.810 local terms energy: -237.347293 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -60.577 flat angles C4'-P-C4' energy: -51.329 flat angles P-C4'-P energy: -35.383 tors. eta vs tors. theta energy: -26.847 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: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -363.100835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.100835 (E_RNA) where: Base-Base interactions energy: -165.409 where: short stacking energy: -106.221 Base-Backbone interact. energy: -3.550 local terms energy: -194.141547 where: bonds (distance) C4'-P energy: -40.512 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -64.358 flat angles P-C4'-P energy: -24.719 tors. eta vs tors. theta energy: 0.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -256.648976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.648976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.648976 (E_RNA) where: Base-Base interactions energy: -97.007 where: short stacking energy: -72.568 Base-Backbone interact. energy: 0.133 local terms energy: -159.774690 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -40.060 flat angles P-C4'-P energy: -18.912 tors. eta vs tors. theta energy: 12.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1183.696871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.696871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.696871 (E_RNA) where: Base-Base interactions energy: -828.574 where: short stacking energy: -332.878 Base-Backbone interact. energy: -0.511 local terms energy: -354.611740 where: bonds (distance) C4'-P energy: -69.611 bonds (distance) P-C4' energy: -64.293 flat angles C4'-P-C4' energy: -70.429 flat angles P-C4'-P energy: -45.114 tors. eta vs tors. theta energy: -105.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1106.251184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.251184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.251184 (E_RNA) where: Base-Base interactions energy: -748.862 where: short stacking energy: -310.486 Base-Backbone interact. energy: -3.487 local terms energy: -353.902650 where: bonds (distance) C4'-P energy: -68.566 bonds (distance) P-C4' energy: -63.341 flat angles C4'-P-C4' energy: -78.181 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -96.332 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: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1120.380557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.380557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.380557 (E_RNA) where: Base-Base interactions energy: -775.122 where: short stacking energy: -313.396 Base-Backbone interact. energy: -0.676 local terms energy: -344.582808 where: bonds (distance) C4'-P energy: -65.679 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -43.541 tors. eta vs tors. theta energy: -93.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1028.242636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.242636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.242636 (E_RNA) where: Base-Base interactions energy: -710.114 where: short stacking energy: -301.972 Base-Backbone interact. energy: 0.596 local terms energy: -318.725499 where: bonds (distance) C4'-P energy: -55.223 bonds (distance) P-C4' energy: -64.234 flat angles C4'-P-C4' energy: -68.467 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -89.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -916.701800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.701800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.701800 (E_RNA) where: Base-Base interactions energy: -617.762 where: short stacking energy: -267.486 Base-Backbone interact. energy: -0.567 local terms energy: -298.372646 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -68.182 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -74.932 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: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -732.551485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.551485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.551485 (E_RNA) where: Base-Base interactions energy: -485.856 where: short stacking energy: -203.667 Base-Backbone interact. energy: -1.038 local terms energy: -245.656806 where: bonds (distance) C4'-P energy: -55.892 bonds (distance) P-C4' energy: -53.489 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -38.754 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: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -598.180638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.180638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.180638 (E_RNA) where: Base-Base interactions energy: -364.640 where: short stacking energy: -161.562 Base-Backbone interact. energy: -1.175 local terms energy: -232.365834 where: bonds (distance) C4'-P energy: -51.392 bonds (distance) P-C4' energy: -68.257 flat angles C4'-P-C4' energy: -53.456 flat angles P-C4'-P energy: -35.241 tors. eta vs tors. theta energy: -24.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -623.703694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.703694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.703694 (E_RNA) where: Base-Base interactions energy: -360.607 where: short stacking energy: -192.793 Base-Backbone interact. energy: -0.527 local terms energy: -262.570081 where: bonds (distance) C4'-P energy: -58.202 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -33.302 tors. eta vs tors. theta energy: -47.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -374.078572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.078572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.078572 (E_RNA) where: Base-Base interactions energy: -177.115 where: short stacking energy: -100.516 Base-Backbone interact. energy: 1.741 local terms energy: -198.705037 where: bonds (distance) C4'-P energy: -55.060 bonds (distance) P-C4' energy: -70.385 flat angles C4'-P-C4' energy: -44.356 flat angles P-C4'-P energy: -23.638 tors. eta vs tors. theta energy: -5.265 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: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -318.635207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.635207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.635207 (E_RNA) where: Base-Base interactions energy: -120.866 where: short stacking energy: -99.323 Base-Backbone interact. energy: -0.613 local terms energy: -197.156150 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -53.268 flat angles C4'-P-C4' energy: -56.764 flat angles P-C4'-P energy: -27.398 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1173.193678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.193678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.193678 (E_RNA) where: Base-Base interactions energy: -811.773 where: short stacking energy: -321.916 Base-Backbone interact. energy: -2.431 local terms energy: -358.989993 where: bonds (distance) C4'-P energy: -61.931 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -49.967 tors. eta vs tors. theta energy: -108.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1131.444902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.444902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.444902 (E_RNA) where: Base-Base interactions energy: -803.536 where: short stacking energy: -325.261 Base-Backbone interact. energy: -0.600 local terms energy: -327.309163 where: bonds (distance) C4'-P energy: -52.834 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -40.188 tors. eta vs tors. theta energy: -94.903 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: 3, replica: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1092.500234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.500234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.500234 (E_RNA) where: Base-Base interactions energy: -731.957 where: short stacking energy: -309.190 Base-Backbone interact. energy: -2.048 local terms energy: -358.495137 where: bonds (distance) C4'-P energy: -61.811 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -77.292 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -101.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -988.341963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.341963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.341963 (E_RNA) where: Base-Base interactions energy: -668.847 where: short stacking energy: -282.299 Base-Backbone interact. energy: -1.448 local terms energy: -318.047135 where: bonds (distance) C4'-P energy: -67.270 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -35.142 tors. eta vs tors. theta energy: -88.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -936.633919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.633919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.633919 (E_RNA) where: Base-Base interactions energy: -612.219 where: short stacking energy: -278.294 Base-Backbone interact. energy: -0.493 local terms energy: -323.921669 where: bonds (distance) C4'-P energy: -65.207 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -67.304 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -80.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -759.395142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.395142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.395142 (E_RNA) where: Base-Base interactions energy: -488.592 where: short stacking energy: -213.513 Base-Backbone interact. energy: -1.786 local terms energy: -269.017122 where: bonds (distance) C4'-P energy: -60.249 bonds (distance) P-C4' energy: -61.198 flat angles C4'-P-C4' energy: -68.576 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: -40.455 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: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -614.840818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.840818 (E_RNA) where: Base-Base interactions energy: -379.228 where: short stacking energy: -171.682 Base-Backbone interact. energy: -1.019 local terms energy: -234.594142 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -29.557 tors. eta vs tors. theta energy: -33.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -681.248725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.248725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.248725 (E_RNA) where: Base-Base interactions energy: -448.026 where: short stacking energy: -205.133 Base-Backbone interact. energy: 3.394 local terms energy: -236.617324 where: bonds (distance) C4'-P energy: -51.985 bonds (distance) P-C4' energy: -41.774 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: -45.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -429.428992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.428992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.428992 (E_RNA) where: Base-Base interactions energy: -218.283 where: short stacking energy: -113.208 Base-Backbone interact. energy: 2.594 local terms energy: -213.739880 where: bonds (distance) C4'-P energy: -59.709 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -29.179 tors. eta vs tors. theta energy: 1.207 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: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -274.333614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.333614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.333614 (E_RNA) where: Base-Base interactions energy: -89.652 where: short stacking energy: -71.427 Base-Backbone interact. energy: 1.836 local terms energy: -186.516831 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -62.232 flat angles C4'-P-C4' energy: -39.425 flat angles P-C4'-P energy: -26.095 tors. eta vs tors. theta energy: 6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1183.232115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.232115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.232115 (E_RNA) where: Base-Base interactions energy: -834.223 where: short stacking energy: -334.904 Base-Backbone interact. energy: -2.114 local terms energy: -346.894713 where: bonds (distance) C4'-P energy: -61.833 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -68.183 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -106.362 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: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1139.014442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.014442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.014442 (E_RNA) where: Base-Base interactions energy: -789.268 where: short stacking energy: -317.223 Base-Backbone interact. energy: 0.451 local terms energy: -350.196939 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -68.404 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -95.588 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: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1110.551250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.551250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.551250 (E_RNA) where: Base-Base interactions energy: -775.004 where: short stacking energy: -315.918 Base-Backbone interact. energy: -3.373 local terms energy: -332.173895 where: bonds (distance) C4'-P energy: -54.553 bonds (distance) P-C4' energy: -58.241 flat angles C4'-P-C4' energy: -75.709 flat angles P-C4'-P energy: -47.415 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -984.692411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.692411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.692411 (E_RNA) where: Base-Base interactions energy: -673.815 where: short stacking energy: -286.160 Base-Backbone interact. energy: -1.243 local terms energy: -309.634528 where: bonds (distance) C4'-P energy: -53.446 bonds (distance) P-C4' energy: -72.245 flat angles C4'-P-C4' energy: -62.894 flat angles P-C4'-P energy: -41.686 tors. eta vs tors. theta energy: -79.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -887.168941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.168941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.168941 (E_RNA) where: Base-Base interactions energy: -600.219 where: short stacking energy: -264.181 Base-Backbone interact. energy: 1.235 local terms energy: -288.185165 where: bonds (distance) C4'-P energy: -53.307 bonds (distance) P-C4' energy: -57.298 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -69.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -778.793518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.793518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.793518 (E_RNA) where: Base-Base interactions energy: -504.434 where: short stacking energy: -217.911 Base-Backbone interact. energy: -2.070 local terms energy: -272.289046 where: bonds (distance) C4'-P energy: -54.935 bonds (distance) P-C4' energy: -63.433 flat angles C4'-P-C4' energy: -70.985 flat angles P-C4'-P energy: -37.176 tors. eta vs tors. theta energy: -45.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -724.083249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.083249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.083249 (E_RNA) where: Base-Base interactions energy: -468.893 where: short stacking energy: -211.485 Base-Backbone interact. energy: 1.492 local terms energy: -256.681798 where: bonds (distance) C4'-P energy: -52.728 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -62.439 flat angles P-C4'-P energy: -32.822 tors. eta vs tors. theta energy: -50.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -557.731770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.731770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.731770 (E_RNA) where: Base-Base interactions energy: -323.741 where: short stacking energy: -139.540 Base-Backbone interact. energy: -1.882 local terms energy: -232.109157 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -59.563 flat angles C4'-P-C4' energy: -60.473 flat angles P-C4'-P energy: -36.801 tors. eta vs tors. theta energy: -12.023 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: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -401.224608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.224608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.224608 (E_RNA) where: Base-Base interactions energy: -185.456 where: short stacking energy: -90.562 Base-Backbone interact. energy: -2.114 local terms energy: -213.654716 where: bonds (distance) C4'-P energy: -46.024 bonds (distance) P-C4' energy: -66.140 flat angles C4'-P-C4' energy: -58.566 flat angles P-C4'-P energy: -36.908 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -291.014577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.014577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.014577 (E_RNA) where: Base-Base interactions energy: -117.332 where: short stacking energy: -88.046 Base-Backbone interact. energy: 1.351 local terms energy: -175.033251 where: bonds (distance) C4'-P energy: -54.538 bonds (distance) P-C4' energy: -48.673 flat angles C4'-P-C4' energy: -44.648 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: 7.631 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: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1161.331656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.331656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.331656 (E_RNA) where: Base-Base interactions energy: -811.510 where: short stacking energy: -335.964 Base-Backbone interact. energy: 2.305 local terms energy: -352.126475 where: bonds (distance) C4'-P energy: -63.451 bonds (distance) P-C4' energy: -66.983 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: -99.833 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: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1135.409322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.409322 (E_RNA) where: Base-Base interactions energy: -777.143 where: short stacking energy: -303.381 Base-Backbone interact. energy: -0.615 local terms energy: -357.652189 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -61.126 flat angles C4'-P-C4' energy: -79.528 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -99.793 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: 115 Temperature: 1.000000 Total energy: -1087.753388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.753388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.753388 (E_RNA) where: Base-Base interactions energy: -743.313 where: short stacking energy: -310.102 Base-Backbone interact. energy: -1.236 local terms energy: -343.204381 where: bonds (distance) C4'-P energy: -65.504 bonds (distance) P-C4' energy: -50.475 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -99.273 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: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1051.693570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.693570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.693570 (E_RNA) where: Base-Base interactions energy: -723.622 where: short stacking energy: -300.562 Base-Backbone interact. energy: 0.121 local terms energy: -328.192358 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -65.853 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -86.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -898.840723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.840723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.840723 (E_RNA) where: Base-Base interactions energy: -610.354 where: short stacking energy: -243.022 Base-Backbone interact. energy: -1.385 local terms energy: -287.101938 where: bonds (distance) C4'-P energy: -54.705 bonds (distance) P-C4' energy: -60.942 flat angles C4'-P-C4' energy: -67.556 flat angles P-C4'-P energy: -37.549 tors. eta vs tors. theta energy: -66.350 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: 9 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -771.047004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.047004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.047004 (E_RNA) where: Base-Base interactions energy: -504.830 where: short stacking energy: -222.495 Base-Backbone interact. energy: -1.239 local terms energy: -264.977759 where: bonds (distance) C4'-P energy: -41.950 bonds (distance) P-C4' energy: -58.761 flat angles C4'-P-C4' energy: -57.888 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -59.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -722.796990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.796990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.796990 (E_RNA) where: Base-Base interactions energy: -495.531 where: short stacking energy: -200.038 Base-Backbone interact. energy: -0.661 local terms energy: -226.605265 where: bonds (distance) C4'-P energy: -44.750 bonds (distance) P-C4' energy: -43.534 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -44.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -586.951736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.951736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.951736 (E_RNA) where: Base-Base interactions energy: -346.632 where: short stacking energy: -173.185 Base-Backbone interact. energy: 2.600 local terms energy: -242.919605 where: bonds (distance) C4'-P energy: -60.011 bonds (distance) P-C4' energy: -58.053 flat angles C4'-P-C4' energy: -53.555 flat angles P-C4'-P energy: -33.577 tors. eta vs tors. theta energy: -37.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -404.387732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.387732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.387732 (E_RNA) where: Base-Base interactions energy: -212.384 where: short stacking energy: -106.676 Base-Backbone interact. energy: 0.085 local terms energy: -192.088828 where: bonds (distance) C4'-P energy: -48.460 bonds (distance) P-C4' energy: -52.488 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -31.549 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -300.188386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.188386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.188386 (E_RNA) where: Base-Base interactions energy: -125.953 where: short stacking energy: -103.921 Base-Backbone interact. energy: -0.125 local terms energy: -174.109713 where: bonds (distance) C4'-P energy: -36.593 bonds (distance) P-C4' energy: -60.328 flat angles C4'-P-C4' energy: -42.752 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1168.214650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.214650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.214650 (E_RNA) where: Base-Base interactions energy: -822.005 where: short stacking energy: -324.335 Base-Backbone interact. energy: 0.267 local terms energy: -346.477109 where: bonds (distance) C4'-P energy: -62.412 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -70.783 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -99.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1154.718713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.718713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.718713 (E_RNA) where: Base-Base interactions energy: -811.271 where: short stacking energy: -322.164 Base-Backbone interact. energy: -0.859 local terms energy: -342.588603 where: bonds (distance) C4'-P energy: -62.255 bonds (distance) P-C4' energy: -60.289 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -97.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1092.266906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.266906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.266906 (E_RNA) where: Base-Base interactions energy: -759.689 where: short stacking energy: -327.118 Base-Backbone interact. energy: -1.164 local terms energy: -331.414271 where: bonds (distance) C4'-P energy: -55.978 bonds (distance) P-C4' energy: -65.371 flat angles C4'-P-C4' energy: -72.282 flat angles P-C4'-P energy: -40.774 tors. eta vs tors. theta energy: -97.010 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: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1022.828586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.828586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.828586 (E_RNA) where: Base-Base interactions energy: -704.503 where: short stacking energy: -302.861 Base-Backbone interact. energy: -1.234 local terms energy: -317.092249 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -54.097 flat angles C4'-P-C4' energy: -78.284 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -90.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -917.006071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.006071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.006071 (E_RNA) where: Base-Base interactions energy: -599.102 where: short stacking energy: -265.810 Base-Backbone interact. energy: 1.210 local terms energy: -319.113260 where: bonds (distance) C4'-P energy: -64.385 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -75.671 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -76.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -771.380932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.380932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.380932 (E_RNA) where: Base-Base interactions energy: -501.357 where: short stacking energy: -218.380 Base-Backbone interact. energy: 0.708 local terms energy: -270.731036 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -56.226 flat angles C4'-P-C4' energy: -59.807 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -54.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -687.586448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.586448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.586448 (E_RNA) where: Base-Base interactions energy: -424.528 where: short stacking energy: -202.120 Base-Backbone interact. energy: 0.529 local terms energy: -263.587136 where: bonds (distance) C4'-P energy: -56.478 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -70.372 flat angles P-C4'-P energy: -31.845 tors. eta vs tors. theta energy: -42.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -577.487008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.487008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.487008 (E_RNA) where: Base-Base interactions energy: -344.292 where: short stacking energy: -183.757 Base-Backbone interact. energy: 0.002 local terms energy: -233.196954 where: bonds (distance) C4'-P energy: -60.202 bonds (distance) P-C4' energy: -55.982 flat angles C4'-P-C4' energy: -53.329 flat angles P-C4'-P energy: -42.592 tors. eta vs tors. theta energy: -21.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -438.362938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.362938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.362938 (E_RNA) where: Base-Base interactions energy: -235.957 where: short stacking energy: -122.807 Base-Backbone interact. energy: -2.129 local terms energy: -200.276919 where: bonds (distance) C4'-P energy: -45.585 bonds (distance) P-C4' energy: -54.924 flat angles C4'-P-C4' energy: -48.945 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -273.417766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.417766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.417766 (E_RNA) where: Base-Base interactions energy: -92.439 where: short stacking energy: -77.085 Base-Backbone interact. energy: 3.875 local terms energy: -184.853964 where: bonds (distance) C4'-P energy: -57.770 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -43.432 flat angles P-C4'-P energy: -28.840 tors. eta vs tors. theta energy: 9.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1162.255619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.255619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.255619 (E_RNA) where: Base-Base interactions energy: -805.870 where: short stacking energy: -329.268 Base-Backbone interact. energy: -0.704 local terms energy: -355.681565 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -73.536 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -51.390 tors. eta vs tors. theta energy: -102.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1161.374563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.374563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.374563 (E_RNA) where: Base-Base interactions energy: -806.402 where: short stacking energy: -319.702 Base-Backbone interact. energy: -1.547 local terms energy: -353.426348 where: bonds (distance) C4'-P energy: -62.687 bonds (distance) P-C4' energy: -67.453 flat angles C4'-P-C4' energy: -73.068 flat angles P-C4'-P energy: -47.696 tors. eta vs tors. theta energy: -102.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1113.659722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.659722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.659722 (E_RNA) where: Base-Base interactions energy: -782.184 where: short stacking energy: -319.788 Base-Backbone interact. energy: -1.631 local terms energy: -329.844909 where: bonds (distance) C4'-P energy: -62.777 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -94.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1042.944766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.944766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.944766 (E_RNA) where: Base-Base interactions energy: -731.314 where: short stacking energy: -293.662 Base-Backbone interact. energy: -0.975 local terms energy: -310.656154 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -52.301 flat angles C4'-P-C4' energy: -69.310 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -93.459 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: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -906.606677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.606677 (E_RNA) where: Base-Base interactions energy: -611.422 where: short stacking energy: -251.295 Base-Backbone interact. energy: -0.496 local terms energy: -294.688531 where: bonds (distance) C4'-P energy: -53.509 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -37.582 tors. eta vs tors. theta energy: -74.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -713.652947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.652947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.652947 (E_RNA) where: Base-Base interactions energy: -438.219 where: short stacking energy: -213.842 Base-Backbone interact. energy: -1.408 local terms energy: -274.025574 where: bonds (distance) C4'-P energy: -62.649 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -46.315 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: -52.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -731.930521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.930521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.930521 (E_RNA) where: Base-Base interactions energy: -491.899 where: short stacking energy: -202.731 Base-Backbone interact. energy: -0.942 local terms energy: -239.089812 where: bonds (distance) C4'-P energy: -48.334 bonds (distance) P-C4' energy: -51.987 flat angles C4'-P-C4' energy: -54.309 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: -47.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -584.699143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.699143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.699143 (E_RNA) where: Base-Base interactions energy: -345.771 where: short stacking energy: -161.625 Base-Backbone interact. energy: -2.087 local terms energy: -236.841061 where: bonds (distance) C4'-P energy: -61.166 bonds (distance) P-C4' energy: -61.318 flat angles C4'-P-C4' energy: -55.959 flat angles P-C4'-P energy: -25.629 tors. eta vs tors. theta energy: -32.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -418.342977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.342977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.342977 (E_RNA) where: Base-Base interactions energy: -198.382 where: short stacking energy: -108.251 Base-Backbone interact. energy: 0.221 local terms energy: -220.181605 where: bonds (distance) C4'-P energy: -59.465 bonds (distance) P-C4' energy: -66.280 flat angles C4'-P-C4' energy: -63.200 flat angles P-C4'-P energy: -35.651 tors. eta vs tors. theta energy: 4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -306.106966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.106966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.106966 (E_RNA) where: Base-Base interactions energy: -139.082 where: short stacking energy: -84.998 Base-Backbone interact. energy: 1.972 local terms energy: -168.996661 where: bonds (distance) C4'-P energy: -57.226 bonds (distance) P-C4' energy: -37.312 flat angles C4'-P-C4' energy: -43.156 flat angles P-C4'-P energy: -37.871 tors. eta vs tors. theta energy: 6.568 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: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1172.620161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.620161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.620161 (E_RNA) where: Base-Base interactions energy: -803.489 where: short stacking energy: -334.747 Base-Backbone interact. energy: -2.887 local terms energy: -366.244920 where: bonds (distance) C4'-P energy: -66.961 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -104.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1147.047168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.047168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.047168 (E_RNA) where: Base-Base interactions energy: -790.727 where: short stacking energy: -305.891 Base-Backbone interact. energy: -0.899 local terms energy: -355.420889 where: bonds (distance) C4'-P energy: -69.529 bonds (distance) P-C4' energy: -74.497 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -91.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1118.239093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.239093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.239093 (E_RNA) where: Base-Base interactions energy: -761.971 where: short stacking energy: -319.518 Base-Backbone interact. energy: -0.928 local terms energy: -355.339329 where: bonds (distance) C4'-P energy: -71.475 bonds (distance) P-C4' energy: -66.358 flat angles C4'-P-C4' energy: -78.339 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -96.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -976.214125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.214125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.214125 (E_RNA) where: Base-Base interactions energy: -676.311 where: short stacking energy: -284.417 Base-Backbone interact. energy: -0.882 local terms energy: -299.021604 where: bonds (distance) C4'-P energy: -52.351 bonds (distance) P-C4' energy: -54.002 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -79.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -922.937833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.937833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.937833 (E_RNA) where: Base-Base interactions energy: -609.046 where: short stacking energy: -265.271 Base-Backbone interact. energy: -1.071 local terms energy: -312.820400 where: bonds (distance) C4'-P energy: -61.330 bonds (distance) P-C4' energy: -65.323 flat angles C4'-P-C4' energy: -59.237 flat angles P-C4'-P energy: -37.518 tors. eta vs tors. theta energy: -89.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -746.424501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.424501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.424501 (E_RNA) where: Base-Base interactions energy: -490.121 where: short stacking energy: -235.008 Base-Backbone interact. energy: -0.267 local terms energy: -256.036290 where: bonds (distance) C4'-P energy: -64.517 bonds (distance) P-C4' energy: -39.651 flat angles C4'-P-C4' energy: -59.402 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: -53.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -587.632699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.632699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.632699 (E_RNA) where: Base-Base interactions energy: -353.598 where: short stacking energy: -181.580 Base-Backbone interact. energy: 1.351 local terms energy: -235.385477 where: bonds (distance) C4'-P energy: -51.058 bonds (distance) P-C4' energy: -57.696 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -32.836 tors. eta vs tors. theta energy: -31.544 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: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -700.730459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.730459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.730459 (E_RNA) where: Base-Base interactions energy: -462.586 where: short stacking energy: -193.356 Base-Backbone interact. energy: 3.066 local terms energy: -241.210343 where: bonds (distance) C4'-P energy: -51.349 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -56.336 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: -38.605 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: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -438.987006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.987006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.987006 (E_RNA) where: Base-Base interactions energy: -230.112 where: short stacking energy: -134.198 Base-Backbone interact. energy: 0.115 local terms energy: -208.990395 where: bonds (distance) C4'-P energy: -51.794 bonds (distance) P-C4' energy: -62.462 flat angles C4'-P-C4' energy: -56.512 flat angles P-C4'-P energy: -24.316 tors. eta vs tors. theta energy: -13.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -277.579262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.579262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.579262 (E_RNA) where: Base-Base interactions energy: -106.299 where: short stacking energy: -83.294 Base-Backbone interact. energy: -0.405 local terms energy: -170.874476 where: bonds (distance) C4'-P energy: -47.040 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -62.189 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: 21.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1171.091916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.091916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.091916 (E_RNA) where: Base-Base interactions energy: -821.961 where: short stacking energy: -324.841 Base-Backbone interact. energy: -0.745 local terms energy: -348.385369 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -77.965 flat angles P-C4'-P energy: -51.484 tors. eta vs tors. theta energy: -100.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1136.564136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.564136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.564136 (E_RNA) where: Base-Base interactions energy: -795.336 where: short stacking energy: -322.476 Base-Backbone interact. energy: -2.097 local terms energy: -339.130673 where: bonds (distance) C4'-P energy: -59.654 bonds (distance) P-C4' energy: -61.177 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -52.947 tors. eta vs tors. theta energy: -90.900 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: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1120.438555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.438555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.438555 (E_RNA) where: Base-Base interactions energy: -787.861 where: short stacking energy: -316.503 Base-Backbone interact. energy: -0.796 local terms energy: -331.781895 where: bonds (distance) C4'-P energy: -63.216 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -64.433 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -99.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -964.462458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.462458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.462458 (E_RNA) where: Base-Base interactions energy: -645.164 where: short stacking energy: -287.582 Base-Backbone interact. energy: 0.530 local terms energy: -319.829150 where: bonds (distance) C4'-P energy: -62.957 bonds (distance) P-C4' energy: -59.129 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -45.333 tors. eta vs tors. theta energy: -82.548 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: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -932.606958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.606958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.606958 (E_RNA) where: Base-Base interactions energy: -637.207 where: short stacking energy: -262.211 Base-Backbone interact. energy: -1.245 local terms energy: -294.154436 where: bonds (distance) C4'-P energy: -46.344 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -52.052 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -772.643509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.643509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.643509 (E_RNA) where: Base-Base interactions energy: -513.587 where: short stacking energy: -230.217 Base-Backbone interact. energy: -2.031 local terms energy: -257.026166 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -58.582 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -32.705 tors. eta vs tors. theta energy: -50.972 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: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -616.338940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.338940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.338940 (E_RNA) where: Base-Base interactions energy: -393.146 where: short stacking energy: -176.889 Base-Backbone interact. energy: -2.590 local terms energy: -220.603803 where: bonds (distance) C4'-P energy: -49.835 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -51.314 flat angles P-C4'-P energy: -25.212 tors. eta vs tors. theta energy: -35.262 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -699.107370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.107370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.107370 (E_RNA) where: Base-Base interactions energy: -455.829 where: short stacking energy: -183.583 Base-Backbone interact. energy: -1.304 local terms energy: -241.973652 where: bonds (distance) C4'-P energy: -50.895 bonds (distance) P-C4' energy: -58.380 flat angles C4'-P-C4' energy: -59.737 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -37.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -415.346824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.346824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.346824 (E_RNA) where: Base-Base interactions energy: -222.827 where: short stacking energy: -125.631 Base-Backbone interact. energy: 1.149 local terms energy: -193.668736 where: bonds (distance) C4'-P energy: -42.342 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -48.398 flat angles P-C4'-P energy: -32.602 tors. eta vs tors. theta energy: -12.349 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: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -300.093966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.093966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.093966 (E_RNA) where: Base-Base interactions energy: -114.442 where: short stacking energy: -103.870 Base-Backbone interact. energy: 3.152 local terms energy: -188.803719 where: bonds (distance) C4'-P energy: -51.429 bonds (distance) P-C4' energy: -57.888 flat angles C4'-P-C4' energy: -47.388 flat angles P-C4'-P energy: -18.646 tors. eta vs tors. theta energy: -13.452 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: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1155.224603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.224603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.224603 (E_RNA) where: Base-Base interactions energy: -805.713 where: short stacking energy: -306.737 Base-Backbone interact. energy: -0.542 local terms energy: -348.969426 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -79.037 flat angles P-C4'-P energy: -37.003 tors. eta vs tors. theta energy: -101.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1130.531672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.531672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.531672 (E_RNA) where: Base-Base interactions energy: -786.620 where: short stacking energy: -327.004 Base-Backbone interact. energy: -2.118 local terms energy: -341.793594 where: bonds (distance) C4'-P energy: -50.526 bonds (distance) P-C4' energy: -65.783 flat angles C4'-P-C4' energy: -70.712 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -106.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1108.900869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.900869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.900869 (E_RNA) where: Base-Base interactions energy: -754.255 where: short stacking energy: -309.876 Base-Backbone interact. energy: -2.146 local terms energy: -352.500277 where: bonds (distance) C4'-P energy: -66.678 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -57.020 tors. eta vs tors. theta energy: -93.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -986.359013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.359013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.359013 (E_RNA) where: Base-Base interactions energy: -660.948 where: short stacking energy: -283.204 Base-Backbone interact. energy: -0.956 local terms energy: -324.455623 where: bonds (distance) C4'-P energy: -55.790 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -74.468 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -79.581 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: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -924.539291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.539291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.539291 (E_RNA) where: Base-Base interactions energy: -625.469 where: short stacking energy: -275.837 Base-Backbone interact. energy: -0.768 local terms energy: -298.303089 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -54.589 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -68.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -781.729169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.729169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.729169 (E_RNA) where: Base-Base interactions energy: -512.634 where: short stacking energy: -242.906 Base-Backbone interact. energy: -1.669 local terms energy: -267.425825 where: bonds (distance) C4'-P energy: -46.210 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -59.710 flat angles P-C4'-P energy: -37.190 tors. eta vs tors. theta energy: -67.112 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: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -787.682060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.682060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.682060 (E_RNA) where: Base-Base interactions energy: -509.154 where: short stacking energy: -220.910 Base-Backbone interact. energy: -0.234 local terms energy: -278.294793 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -42.268 tors. eta vs tors. theta energy: -58.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -633.646861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.646861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.646861 (E_RNA) where: Base-Base interactions energy: -385.225 where: short stacking energy: -177.499 Base-Backbone interact. energy: -0.860 local terms energy: -247.561681 where: bonds (distance) C4'-P energy: -67.772 bonds (distance) P-C4' energy: -48.755 flat angles C4'-P-C4' energy: -56.560 flat angles P-C4'-P energy: -37.913 tors. eta vs tors. theta energy: -36.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -319.397973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.397973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.397973 (E_RNA) where: Base-Base interactions energy: -126.815 where: short stacking energy: -102.682 Base-Backbone interact. energy: 0.039 local terms energy: -192.621786 where: bonds (distance) C4'-P energy: -52.737 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -36.388 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: -12.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -307.211651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.211651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.211651 (E_RNA) where: Base-Base interactions energy: -110.731 where: short stacking energy: -75.139 Base-Backbone interact. energy: 1.260 local terms energy: -197.741202 where: bonds (distance) C4'-P energy: -68.527 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -38.700 flat angles P-C4'-P energy: -34.903 tors. eta vs tors. theta energy: 7.392 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: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1166.229982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.229982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.229982 (E_RNA) where: Base-Base interactions energy: -804.720 where: short stacking energy: -322.886 Base-Backbone interact. energy: 0.963 local terms energy: -362.472303 where: bonds (distance) C4'-P energy: -68.673 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -44.598 tors. eta vs tors. theta energy: -105.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1139.410144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.410144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.410144 (E_RNA) where: Base-Base interactions energy: -796.112 where: short stacking energy: -315.897 Base-Backbone interact. energy: -0.218 local terms energy: -343.080543 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -75.034 flat angles P-C4'-P energy: -48.491 tors. eta vs tors. theta energy: -95.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1127.846222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.846222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.846222 (E_RNA) where: Base-Base interactions energy: -778.050 where: short stacking energy: -329.981 Base-Backbone interact. energy: -0.843 local terms energy: -348.953078 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -64.895 flat angles C4'-P-C4' energy: -72.039 flat angles P-C4'-P energy: -50.377 tors. eta vs tors. theta energy: -98.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -980.797325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.797325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.797325 (E_RNA) where: Base-Base interactions energy: -650.945 where: short stacking energy: -260.268 Base-Backbone interact. energy: -0.861 local terms energy: -328.991146 where: bonds (distance) C4'-P energy: -65.257 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -66.604 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -79.315 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: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -956.472809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.472809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.472809 (E_RNA) where: Base-Base interactions energy: -642.232 where: short stacking energy: -263.283 Base-Backbone interact. energy: -0.810 local terms energy: -313.430573 where: bonds (distance) C4'-P energy: -54.003 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: -75.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -796.142424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.142424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.142424 (E_RNA) where: Base-Base interactions energy: -515.001 where: short stacking energy: -224.114 Base-Backbone interact. energy: -1.177 local terms energy: -279.965123 where: bonds (distance) C4'-P energy: -52.909 bonds (distance) P-C4' energy: -66.794 flat angles C4'-P-C4' energy: -64.600 flat angles P-C4'-P energy: -34.946 tors. eta vs tors. theta energy: -60.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -728.684644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.684644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.684644 (E_RNA) where: Base-Base interactions energy: -471.480 where: short stacking energy: -222.386 Base-Backbone interact. energy: 0.600 local terms energy: -257.803752 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -55.085 flat angles C4'-P-C4' energy: -52.803 flat angles P-C4'-P energy: -29.414 tors. eta vs tors. theta energy: -60.100 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: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -575.201293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.201293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.201293 (E_RNA) where: Base-Base interactions energy: -353.498 where: short stacking energy: -169.883 Base-Backbone interact. energy: 0.253 local terms energy: -221.956251 where: bonds (distance) C4'-P energy: -55.371 bonds (distance) P-C4' energy: -61.998 flat angles C4'-P-C4' energy: -53.859 flat angles P-C4'-P energy: -28.204 tors. eta vs tors. theta energy: -22.524 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: 121 Temperature: 1.300000 Total energy: -285.828587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.828587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.828587 (E_RNA) where: Base-Base interactions energy: -116.734 where: short stacking energy: -78.391 Base-Backbone interact. energy: -1.366 local terms energy: -167.728547 where: bonds (distance) C4'-P energy: -51.763 bonds (distance) P-C4' energy: -52.673 flat angles C4'-P-C4' energy: -56.354 flat angles P-C4'-P energy: -21.192 tors. eta vs tors. theta energy: 14.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -350.312093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.312093 (E_RNA) where: Base-Base interactions energy: -144.735 where: short stacking energy: -88.119 Base-Backbone interact. energy: -0.725 local terms energy: -204.852072 where: bonds (distance) C4'-P energy: -59.369 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -52.756 flat angles P-C4'-P energy: -36.092 tors. eta vs tors. theta energy: 5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1178.030786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.030786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.030786 (E_RNA) where: Base-Base interactions energy: -824.107 where: short stacking energy: -321.320 Base-Backbone interact. energy: -0.811 local terms energy: -353.112484 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -66.184 flat angles C4'-P-C4' energy: -76.959 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -94.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1173.609355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.609355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.609355 (E_RNA) where: Base-Base interactions energy: -825.305 where: short stacking energy: -324.376 Base-Backbone interact. energy: 2.462 local terms energy: -350.765912 where: bonds (distance) C4'-P energy: -63.174 bonds (distance) P-C4' energy: -69.442 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -53.216 tors. eta vs tors. theta energy: -93.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1088.745452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.745452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.745452 (E_RNA) where: Base-Base interactions energy: -762.014 where: short stacking energy: -329.584 Base-Backbone interact. energy: -1.891 local terms energy: -324.840349 where: bonds (distance) C4'-P energy: -60.058 bonds (distance) P-C4' energy: -63.327 flat angles C4'-P-C4' energy: -69.289 flat angles P-C4'-P energy: -38.077 tors. eta vs tors. theta energy: -94.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -981.624161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.624161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.624161 (E_RNA) where: Base-Base interactions energy: -660.375 where: short stacking energy: -292.448 Base-Backbone interact. energy: -1.401 local terms energy: -319.847266 where: bonds (distance) C4'-P energy: -62.612 bonds (distance) P-C4' energy: -58.273 flat angles C4'-P-C4' energy: -75.728 flat angles P-C4'-P energy: -44.905 tors. eta vs tors. theta energy: -78.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -954.829560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.829560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.829560 (E_RNA) where: Base-Base interactions energy: -656.380 where: short stacking energy: -275.395 Base-Backbone interact. energy: -1.730 local terms energy: -296.719117 where: bonds (distance) C4'-P energy: -49.888 bonds (distance) P-C4' energy: -65.665 flat angles C4'-P-C4' energy: -61.135 flat angles P-C4'-P energy: -41.662 tors. eta vs tors. theta energy: -78.369 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: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -798.240876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.240876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.240876 (E_RNA) where: Base-Base interactions energy: -532.006 where: short stacking energy: -207.829 Base-Backbone interact. energy: -0.071 local terms energy: -266.164111 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -58.359 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -35.340 tors. eta vs tors. theta energy: -49.880 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: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -717.592833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.592833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.592833 (E_RNA) where: Base-Base interactions energy: -435.896 where: short stacking energy: -184.900 Base-Backbone interact. energy: -2.172 local terms energy: -279.524576 where: bonds (distance) C4'-P energy: -57.594 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -59.592 flat angles P-C4'-P energy: -51.120 tors. eta vs tors. theta energy: -46.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -534.325061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.325061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.325061 (E_RNA) where: Base-Base interactions energy: -314.523 where: short stacking energy: -146.293 Base-Backbone interact. energy: -3.437 local terms energy: -216.364937 where: bonds (distance) C4'-P energy: -50.548 bonds (distance) P-C4' energy: -51.850 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -35.988 tors. eta vs tors. theta energy: -17.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -288.653817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.653817 (E_RNA) where: Base-Base interactions energy: -114.281 where: short stacking energy: -102.909 Base-Backbone interact. energy: -0.773 local terms energy: -173.599018 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -62.478 flat angles C4'-P-C4' energy: -40.818 flat angles P-C4'-P energy: -19.538 tors. eta vs tors. theta energy: 9.286 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: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -274.663257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.663257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.663257 (E_RNA) where: Base-Base interactions energy: -84.859 where: short stacking energy: -74.132 Base-Backbone interact. energy: 3.148 local terms energy: -192.952289 where: bonds (distance) C4'-P energy: -56.008 bonds (distance) P-C4' energy: -54.548 flat angles C4'-P-C4' energy: -58.120 flat angles P-C4'-P energy: -27.226 tors. eta vs tors. theta energy: 2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1175.448912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.448912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.448912 (E_RNA) where: Base-Base interactions energy: -836.545 where: short stacking energy: -330.396 Base-Backbone interact. energy: 0.409 local terms energy: -339.313217 where: bonds (distance) C4'-P energy: -64.031 bonds (distance) P-C4' energy: -64.870 flat angles C4'-P-C4' energy: -68.340 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -97.882 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: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1124.574990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.574990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.574990 (E_RNA) where: Base-Base interactions energy: -805.898 where: short stacking energy: -314.904 Base-Backbone interact. energy: -1.230 local terms energy: -317.447414 where: bonds (distance) C4'-P energy: -51.686 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -61.117 flat angles P-C4'-P energy: -51.342 tors. eta vs tors. theta energy: -89.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1128.444973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.444973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.444973 (E_RNA) where: Base-Base interactions energy: -759.868 where: short stacking energy: -316.215 Base-Backbone interact. energy: -2.569 local terms energy: -366.008161 where: bonds (distance) C4'-P energy: -63.586 bonds (distance) P-C4' energy: -70.595 flat angles C4'-P-C4' energy: -75.418 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -103.238 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: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -985.603587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.603587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.603587 (E_RNA) where: Base-Base interactions energy: -667.085 where: short stacking energy: -287.338 Base-Backbone interact. energy: -0.321 local terms energy: -318.197325 where: bonds (distance) C4'-P energy: -55.027 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -74.172 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -89.266 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: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -929.428839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.428839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.428839 (E_RNA) where: Base-Base interactions energy: -629.183 where: short stacking energy: -245.566 Base-Backbone interact. energy: -0.384 local terms energy: -299.862339 where: bonds (distance) C4'-P energy: -55.983 bonds (distance) P-C4' energy: -52.979 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -54.554 tors. eta vs tors. theta energy: -76.161 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: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -807.632719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.632719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.632719 (E_RNA) where: Base-Base interactions energy: -520.006 where: short stacking energy: -217.627 Base-Backbone interact. energy: 0.015 local terms energy: -287.642045 where: bonds (distance) C4'-P energy: -55.276 bonds (distance) P-C4' energy: -74.791 flat angles C4'-P-C4' energy: -67.874 flat angles P-C4'-P energy: -34.394 tors. eta vs tors. theta energy: -55.307 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: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -707.547143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.547143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.547143 (E_RNA) where: Base-Base interactions energy: -461.234 where: short stacking energy: -211.947 Base-Backbone interact. energy: -1.835 local terms energy: -244.478503 where: bonds (distance) C4'-P energy: -44.422 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -50.986 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -47.579 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: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -593.095563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.095563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.095563 (E_RNA) where: Base-Base interactions energy: -364.565 where: short stacking energy: -178.381 Base-Backbone interact. energy: -1.916 local terms energy: -226.614403 where: bonds (distance) C4'-P energy: -53.290 bonds (distance) P-C4' energy: -59.136 flat angles C4'-P-C4' energy: -51.100 flat angles P-C4'-P energy: -28.198 tors. eta vs tors. theta energy: -34.891 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: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -339.170273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.170273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.170273 (E_RNA) where: Base-Base interactions energy: -167.824 where: short stacking energy: -90.625 Base-Backbone interact. energy: 1.079 local terms energy: -172.424904 where: bonds (distance) C4'-P energy: -47.595 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -47.352 flat angles P-C4'-P energy: -18.669 tors. eta vs tors. theta energy: -0.672 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: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -272.713294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.713294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.713294 (E_RNA) where: Base-Base interactions energy: -90.932 where: short stacking energy: -68.108 Base-Backbone interact. energy: -0.757 local terms energy: -181.024544 where: bonds (distance) C4'-P energy: -49.451 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -49.802 flat angles P-C4'-P energy: -24.426 tors. eta vs tors. theta energy: 7.530 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: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1187.630524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.630524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.630524 (E_RNA) where: Base-Base interactions energy: -829.822 where: short stacking energy: -324.268 Base-Backbone interact. energy: -3.639 local terms energy: -354.170119 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -65.950 flat angles C4'-P-C4' energy: -74.840 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -94.487 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: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1162.579425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.579425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.579425 (E_RNA) where: Base-Base interactions energy: -818.181 where: short stacking energy: -306.267 Base-Backbone interact. energy: -1.301 local terms energy: -343.097033 where: bonds (distance) C4'-P energy: -60.140 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -76.604 flat angles P-C4'-P energy: -44.186 tors. eta vs tors. theta energy: -97.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1098.484754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.484754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.484754 (E_RNA) where: Base-Base interactions energy: -742.466 where: short stacking energy: -307.909 Base-Backbone interact. energy: -1.114 local terms energy: -354.904934 where: bonds (distance) C4'-P energy: -56.726 bonds (distance) P-C4' energy: -75.146 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -96.465 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: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -986.209743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.209743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.209743 (E_RNA) where: Base-Base interactions energy: -688.106 where: short stacking energy: -274.853 Base-Backbone interact. energy: -0.072 local terms energy: -298.031871 where: bonds (distance) C4'-P energy: -56.283 bonds (distance) P-C4' energy: -55.804 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -38.966 tors. eta vs tors. theta energy: -78.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -979.922568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.922568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.922568 (E_RNA) where: Base-Base interactions energy: -670.810 where: short stacking energy: -286.935 Base-Backbone interact. energy: -1.980 local terms energy: -307.132718 where: bonds (distance) C4'-P energy: -53.071 bonds (distance) P-C4' energy: -60.194 flat angles C4'-P-C4' energy: -69.697 flat angles P-C4'-P energy: -42.273 tors. eta vs tors. theta energy: -81.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -860.023091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.023091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.023091 (E_RNA) where: Base-Base interactions energy: -575.586 where: short stacking energy: -255.169 Base-Backbone interact. energy: -1.213 local terms energy: -283.224138 where: bonds (distance) C4'-P energy: -55.115 bonds (distance) P-C4' energy: -67.969 flat angles C4'-P-C4' energy: -58.468 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -61.571 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: 7, replica: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -583.475815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.475815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.475815 (E_RNA) where: Base-Base interactions energy: -361.715 where: short stacking energy: -181.421 Base-Backbone interact. energy: -0.345 local terms energy: -221.415786 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -54.075 flat angles C4'-P-C4' energy: -49.428 flat angles P-C4'-P energy: -29.313 tors. eta vs tors. theta energy: -29.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -634.202088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.202088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.202088 (E_RNA) where: Base-Base interactions energy: -384.102 where: short stacking energy: -169.503 Base-Backbone interact. energy: -1.476 local terms energy: -248.624383 where: bonds (distance) C4'-P energy: -44.185 bonds (distance) P-C4' energy: -57.519 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -37.454 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: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -297.757413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.757413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.757413 (E_RNA) where: Base-Base interactions energy: -111.039 where: short stacking energy: -93.126 Base-Backbone interact. energy: 0.544 local terms energy: -187.262216 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -50.704 flat angles C4'-P-C4' energy: -51.413 flat angles P-C4'-P energy: -26.934 tors. eta vs tors. theta energy: 4.064 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: 6 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -415.178032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.178032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.178032 (E_RNA) where: Base-Base interactions energy: -214.639 where: short stacking energy: -106.161 Base-Backbone interact. energy: -1.942 local terms energy: -198.596606 where: bonds (distance) C4'-P energy: -53.967 bonds (distance) P-C4' energy: -48.276 flat angles C4'-P-C4' energy: -45.357 flat angles P-C4'-P energy: -29.120 tors. eta vs tors. theta energy: -21.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1167.520633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.520633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.520633 (E_RNA) where: Base-Base interactions energy: -821.891 where: short stacking energy: -318.474 Base-Backbone interact. energy: -2.536 local terms energy: -343.093640 where: bonds (distance) C4'-P energy: -69.024 bonds (distance) P-C4' energy: -57.216 flat angles C4'-P-C4' energy: -68.180 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -95.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1124.833940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.833940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.833940 (E_RNA) where: Base-Base interactions energy: -794.279 where: short stacking energy: -313.650 Base-Backbone interact. energy: -1.214 local terms energy: -329.340908 where: bonds (distance) C4'-P energy: -70.399 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -69.470 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -87.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1087.539402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.539402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.539402 (E_RNA) where: Base-Base interactions energy: -750.132 where: short stacking energy: -328.479 Base-Backbone interact. energy: 0.023 local terms energy: -337.430273 where: bonds (distance) C4'-P energy: -54.670 bonds (distance) P-C4' energy: -56.224 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -48.626 tors. eta vs tors. theta energy: -103.056 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1005.258892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.258892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.258892 (E_RNA) where: Base-Base interactions energy: -692.884 where: short stacking energy: -284.846 Base-Backbone interact. energy: -0.861 local terms energy: -311.513835 where: bonds (distance) C4'-P energy: -62.064 bonds (distance) P-C4' energy: -60.143 flat angles C4'-P-C4' energy: -58.782 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -82.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -950.496814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.496814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.496814 (E_RNA) where: Base-Base interactions energy: -657.968 where: short stacking energy: -263.223 Base-Backbone interact. energy: -1.699 local terms energy: -290.829597 where: bonds (distance) C4'-P energy: -55.135 bonds (distance) P-C4' energy: -52.598 flat angles C4'-P-C4' energy: -63.201 flat angles P-C4'-P energy: -46.331 tors. eta vs tors. theta energy: -73.566 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -833.839347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.839347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.839347 (E_RNA) where: Base-Base interactions energy: -547.697 where: short stacking energy: -216.891 Base-Backbone interact. energy: -2.638 local terms energy: -283.504806 where: bonds (distance) C4'-P energy: -57.450 bonds (distance) P-C4' energy: -57.098 flat angles C4'-P-C4' energy: -65.863 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -56.262 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: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -609.049129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.049129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.049129 (E_RNA) where: Base-Base interactions energy: -355.766 where: short stacking energy: -186.485 Base-Backbone interact. energy: -1.306 local terms energy: -251.976831 where: bonds (distance) C4'-P energy: -55.259 bonds (distance) P-C4' energy: -60.892 flat angles C4'-P-C4' energy: -54.263 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -32.056 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: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -653.744751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.744751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.744751 (E_RNA) where: Base-Base interactions energy: -420.577 where: short stacking energy: -191.019 Base-Backbone interact. energy: -1.372 local terms energy: -231.796222 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -56.060 flat angles P-C4'-P energy: -34.222 tors. eta vs tors. theta energy: -37.525 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: 125 Temperature: 1.300000 Total energy: -310.649560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.649560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.649560 (E_RNA) where: Base-Base interactions energy: -108.810 where: short stacking energy: -94.981 Base-Backbone interact. energy: -1.543 local terms energy: -200.296380 where: bonds (distance) C4'-P energy: -65.657 bonds (distance) P-C4' energy: -56.621 flat angles C4'-P-C4' energy: -39.066 flat angles P-C4'-P energy: -26.361 tors. eta vs tors. theta energy: -12.591 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: 10, replica: 6 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -343.162032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.162032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.162032 (E_RNA) where: Base-Base interactions energy: -149.648 where: short stacking energy: -89.490 Base-Backbone interact. energy: 1.832 local terms energy: -195.346588 where: bonds (distance) C4'-P energy: -63.551 bonds (distance) P-C4' energy: -56.112 flat angles C4'-P-C4' energy: -51.381 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: 20.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1216.545206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.545206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.545206 (E_RNA) where: Base-Base interactions energy: -874.849 where: short stacking energy: -324.666 Base-Backbone interact. energy: -0.611 local terms energy: -341.085768 where: bonds (distance) C4'-P energy: -68.943 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -71.746 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -91.027 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1150.867589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.867589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.867589 (E_RNA) where: Base-Base interactions energy: -804.097 where: short stacking energy: -313.134 Base-Backbone interact. energy: -1.261 local terms energy: -345.509234 where: bonds (distance) C4'-P energy: -59.299 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -92.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1085.989835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.989835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.989835 (E_RNA) where: Base-Base interactions energy: -742.638 where: short stacking energy: -308.595 Base-Backbone interact. energy: -2.232 local terms energy: -341.119722 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -79.146 flat angles P-C4'-P energy: -47.128 tors. eta vs tors. theta energy: -93.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1001.505757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.505757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.505757 (E_RNA) where: Base-Base interactions energy: -692.109 where: short stacking energy: -284.733 Base-Backbone interact. energy: 0.211 local terms energy: -309.607431 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -50.948 flat angles C4'-P-C4' energy: -73.175 flat angles P-C4'-P energy: -41.616 tors. eta vs tors. theta energy: -86.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -967.689015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.689015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.689015 (E_RNA) where: Base-Base interactions energy: -664.381 where: short stacking energy: -261.019 Base-Backbone interact. energy: 2.074 local terms energy: -305.381847 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -55.561 flat angles C4'-P-C4' energy: -62.519 flat angles P-C4'-P energy: -50.970 tors. eta vs tors. theta energy: -72.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -820.653651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.653651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.653651 (E_RNA) where: Base-Base interactions energy: -558.821 where: short stacking energy: -240.670 Base-Backbone interact. energy: 1.022 local terms energy: -262.854689 where: bonds (distance) C4'-P energy: -42.025 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -35.331 tors. eta vs tors. theta energy: -54.733 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: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -718.915519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.915519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.915519 (E_RNA) where: Base-Base interactions energy: -462.074 where: short stacking energy: -213.701 Base-Backbone interact. energy: 2.222 local terms energy: -259.062849 where: bonds (distance) C4'-P energy: -55.285 bonds (distance) P-C4' energy: -54.212 flat angles C4'-P-C4' energy: -59.579 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: -53.535 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: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -630.330945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.330945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.330945 (E_RNA) where: Base-Base interactions energy: -404.198 where: short stacking energy: -184.707 Base-Backbone interact. energy: 0.823 local terms energy: -226.955618 where: bonds (distance) C4'-P energy: -53.327 bonds (distance) P-C4' energy: -51.495 flat angles C4'-P-C4' energy: -46.030 flat angles P-C4'-P energy: -34.280 tors. eta vs tors. theta energy: -41.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -345.172684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.172684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.172684 (E_RNA) where: Base-Base interactions energy: -156.719 where: short stacking energy: -99.308 Base-Backbone interact. energy: 0.346 local terms energy: -188.799394 where: bonds (distance) C4'-P energy: -58.795 bonds (distance) P-C4' energy: -50.222 flat angles C4'-P-C4' energy: -49.636 flat angles P-C4'-P energy: -23.763 tors. eta vs tors. theta energy: -6.384 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: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -272.887926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.887926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.887926 (E_RNA) where: Base-Base interactions energy: -82.628 where: short stacking energy: -77.838 Base-Backbone interact. energy: 2.260 local terms energy: -192.520757 where: bonds (distance) C4'-P energy: -52.345 bonds (distance) P-C4' energy: -54.796 flat angles C4'-P-C4' energy: -62.770 flat angles P-C4'-P energy: -30.553 tors. eta vs tors. theta energy: 7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1188.595167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.595167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.595167 (E_RNA) where: Base-Base interactions energy: -839.453 where: short stacking energy: -325.896 Base-Backbone interact. energy: 0.595 local terms energy: -349.736592 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -47.254 tors. eta vs tors. theta energy: -95.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1166.646089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.646089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.646089 (E_RNA) where: Base-Base interactions energy: -813.613 where: short stacking energy: -324.559 Base-Backbone interact. energy: -2.320 local terms energy: -350.713674 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -60.737 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -43.047 tors. eta vs tors. theta energy: -105.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1080.547356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.547356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.547356 (E_RNA) where: Base-Base interactions energy: -752.028 where: short stacking energy: -296.797 Base-Backbone interact. energy: -1.251 local terms energy: -327.268676 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -44.003 tors. eta vs tors. theta energy: -99.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1017.127588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.127588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.127588 (E_RNA) where: Base-Base interactions energy: -697.278 where: short stacking energy: -269.744 Base-Backbone interact. energy: 0.119 local terms energy: -319.968623 where: bonds (distance) C4'-P energy: -64.733 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -69.683 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -79.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1027.712372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.712372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.712372 (E_RNA) where: Base-Base interactions energy: -694.259 where: short stacking energy: -286.844 Base-Backbone interact. energy: -2.143 local terms energy: -331.310802 where: bonds (distance) C4'-P energy: -59.710 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -66.878 flat angles P-C4'-P energy: -56.398 tors. eta vs tors. theta energy: -87.780 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: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -784.516679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.516679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.516679 (E_RNA) where: Base-Base interactions energy: -508.372 where: short stacking energy: -204.459 Base-Backbone interact. energy: 2.356 local terms energy: -278.501044 where: bonds (distance) C4'-P energy: -53.649 bonds (distance) P-C4' energy: -59.964 flat angles C4'-P-C4' energy: -68.231 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -47.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -715.289954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.289954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.289954 (E_RNA) where: Base-Base interactions energy: -461.047 where: short stacking energy: -198.367 Base-Backbone interact. energy: -2.724 local terms energy: -251.518946 where: bonds (distance) C4'-P energy: -53.419 bonds (distance) P-C4' energy: -63.155 flat angles C4'-P-C4' energy: -56.984 flat angles P-C4'-P energy: -34.958 tors. eta vs tors. theta energy: -43.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -665.786557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.786557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.786557 (E_RNA) where: Base-Base interactions energy: -429.483 where: short stacking energy: -186.331 Base-Backbone interact. energy: 0.484 local terms energy: -236.786717 where: bonds (distance) C4'-P energy: -51.664 bonds (distance) P-C4' energy: -51.171 flat angles C4'-P-C4' energy: -55.026 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -41.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -315.525995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.525995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.525995 (E_RNA) where: Base-Base interactions energy: -111.433 where: short stacking energy: -63.484 Base-Backbone interact. energy: -1.272 local terms energy: -202.820984 where: bonds (distance) C4'-P energy: -61.234 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -53.707 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: 9.578 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: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -288.087771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.087771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.087771 (E_RNA) where: Base-Base interactions energy: -112.601 where: short stacking energy: -90.639 Base-Backbone interact. energy: 2.627 local terms energy: -178.113392 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -59.198 flat angles C4'-P-C4' energy: -51.459 flat angles P-C4'-P energy: -14.892 tors. eta vs tors. theta energy: 3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1179.379946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.379946 (E_RNA) where: Base-Base interactions energy: -832.970 where: short stacking energy: -331.924 Base-Backbone interact. energy: -1.243 local terms energy: -345.166275 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -89.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1187.659349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.659349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.659349 (E_RNA) where: Base-Base interactions energy: -843.981 where: short stacking energy: -338.132 Base-Backbone interact. energy: -1.948 local terms energy: -341.730455 where: bonds (distance) C4'-P energy: -60.784 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -76.443 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1093.664585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.664585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.664585 (E_RNA) where: Base-Base interactions energy: -743.127 where: short stacking energy: -309.050 Base-Backbone interact. energy: 0.026 local terms energy: -350.563221 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -75.176 flat angles C4'-P-C4' energy: -75.378 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1068.957041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.957041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.957041 (E_RNA) where: Base-Base interactions energy: -730.455 where: short stacking energy: -292.434 Base-Backbone interact. energy: 0.202 local terms energy: -338.704410 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -69.246 flat angles C4'-P-C4' energy: -68.870 flat angles P-C4'-P energy: -42.940 tors. eta vs tors. theta energy: -94.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -987.337993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.337993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.337993 (E_RNA) where: Base-Base interactions energy: -699.726 where: short stacking energy: -293.048 Base-Backbone interact. energy: -3.190 local terms energy: -284.422383 where: bonds (distance) C4'-P energy: -56.652 bonds (distance) P-C4' energy: -45.644 flat angles C4'-P-C4' energy: -66.715 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -81.980 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: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -777.645271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.645271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.645271 (E_RNA) where: Base-Base interactions energy: -507.026 where: short stacking energy: -219.349 Base-Backbone interact. energy: 0.808 local terms energy: -271.427465 where: bonds (distance) C4'-P energy: -60.270 bonds (distance) P-C4' energy: -56.973 flat angles C4'-P-C4' energy: -62.544 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -49.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -689.686369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.686369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.686369 (E_RNA) where: Base-Base interactions energy: -447.435 where: short stacking energy: -207.691 Base-Backbone interact. energy: -1.369 local terms energy: -240.881797 where: bonds (distance) C4'-P energy: -53.229 bonds (distance) P-C4' energy: -49.187 flat angles C4'-P-C4' energy: -58.469 flat angles P-C4'-P energy: -32.746 tors. eta vs tors. theta energy: -47.251 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: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -628.700105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.700105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.700105 (E_RNA) where: Base-Base interactions energy: -385.970 where: short stacking energy: -183.262 Base-Backbone interact. energy: 0.394 local terms energy: -243.124449 where: bonds (distance) C4'-P energy: -44.959 bonds (distance) P-C4' energy: -55.866 flat angles C4'-P-C4' energy: -54.004 flat angles P-C4'-P energy: -40.548 tors. eta vs tors. theta energy: -47.747 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: 128 Temperature: 1.300000 Total energy: -285.147335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.147335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.147335 (E_RNA) where: Base-Base interactions energy: -96.981 where: short stacking energy: -86.833 Base-Backbone interact. energy: -1.100 local terms energy: -187.066469 where: bonds (distance) C4'-P energy: -56.199 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -58.557 flat angles P-C4'-P energy: -19.064 tors. eta vs tors. theta energy: 5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -278.605849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.605849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.605849 (E_RNA) where: Base-Base interactions energy: -88.905 where: short stacking energy: -69.887 Base-Backbone interact. energy: 0.074 local terms energy: -189.775035 where: bonds (distance) C4'-P energy: -55.784 bonds (distance) P-C4' energy: -54.855 flat angles C4'-P-C4' energy: -58.188 flat angles P-C4'-P energy: -33.024 tors. eta vs tors. theta energy: 12.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1174.205881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.205881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.205881 (E_RNA) where: Base-Base interactions energy: -815.840 where: short stacking energy: -326.943 Base-Backbone interact. energy: -1.730 local terms energy: -356.635177 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -79.063 flat angles P-C4'-P energy: -40.877 tors. eta vs tors. theta energy: -96.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1175.159121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.159121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.159121 (E_RNA) where: Base-Base interactions energy: -822.451 where: short stacking energy: -326.201 Base-Backbone interact. energy: 5.743 local terms energy: -358.451684 where: bonds (distance) C4'-P energy: -65.028 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -79.328 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -97.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1092.796175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.796175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.796175 (E_RNA) where: Base-Base interactions energy: -759.192 where: short stacking energy: -311.579 Base-Backbone interact. energy: -1.004 local terms energy: -332.600083 where: bonds (distance) C4'-P energy: -65.350 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -70.293 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -94.120 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: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1055.007514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.007514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.007514 (E_RNA) where: Base-Base interactions energy: -725.984 where: short stacking energy: -301.695 Base-Backbone interact. energy: -1.517 local terms energy: -327.506205 where: bonds (distance) C4'-P energy: -57.443 bonds (distance) P-C4' energy: -66.037 flat angles C4'-P-C4' energy: -69.607 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -87.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1005.412040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.412040 (E_RNA) where: Base-Base interactions energy: -691.916 where: short stacking energy: -283.784 Base-Backbone interact. energy: -1.447 local terms energy: -312.049237 where: bonds (distance) C4'-P energy: -53.237 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -64.300 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: -86.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -786.887241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.887241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.887241 (E_RNA) where: Base-Base interactions energy: -511.684 where: short stacking energy: -230.286 Base-Backbone interact. energy: -0.098 local terms energy: -275.105847 where: bonds (distance) C4'-P energy: -50.636 bonds (distance) P-C4' energy: -60.731 flat angles C4'-P-C4' energy: -63.635 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -57.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -713.233448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.233448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.233448 (E_RNA) where: Base-Base interactions energy: -470.364 where: short stacking energy: -204.180 Base-Backbone interact. energy: -0.023 local terms energy: -242.847397 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -47.194 flat angles C4'-P-C4' energy: -52.860 flat angles P-C4'-P energy: -31.585 tors. eta vs tors. theta energy: -55.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -605.371537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.371537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.371537 (E_RNA) where: Base-Base interactions energy: -382.586 where: short stacking energy: -153.441 Base-Backbone interact. energy: -0.788 local terms energy: -221.997639 where: bonds (distance) C4'-P energy: -53.954 bonds (distance) P-C4' energy: -65.216 flat angles C4'-P-C4' energy: -46.669 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -16.500 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: 129 Temperature: 1.300000 Total energy: -282.351488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.351488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.351488 (E_RNA) where: Base-Base interactions energy: -116.538 where: short stacking energy: -88.080 Base-Backbone interact. energy: 0.432 local terms energy: -166.245324 where: bonds (distance) C4'-P energy: -58.627 bonds (distance) P-C4' energy: -46.543 flat angles C4'-P-C4' energy: -44.306 flat angles P-C4'-P energy: -18.575 tors. eta vs tors. theta energy: 1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -291.531803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.531803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.531803 (E_RNA) where: Base-Base interactions energy: -126.268 where: short stacking energy: -66.791 Base-Backbone interact. energy: 1.174 local terms energy: -166.437697 where: bonds (distance) C4'-P energy: -47.148 bonds (distance) P-C4' energy: -55.058 flat angles C4'-P-C4' energy: -43.912 flat angles P-C4'-P energy: -30.500 tors. eta vs tors. theta energy: 10.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1203.449161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.449161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.449161 (E_RNA) where: Base-Base interactions energy: -846.665 where: short stacking energy: -340.517 Base-Backbone interact. energy: -0.356 local terms energy: -356.428298 where: bonds (distance) C4'-P energy: -72.615 bonds (distance) P-C4' energy: -60.636 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -100.140 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: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1133.610023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.610023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.610023 (E_RNA) where: Base-Base interactions energy: -789.531 where: short stacking energy: -313.822 Base-Backbone interact. energy: -1.224 local terms energy: -342.854436 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -48.424 tors. eta vs tors. theta energy: -95.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1089.941861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.941861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.941861 (E_RNA) where: Base-Base interactions energy: -746.597 where: short stacking energy: -302.421 Base-Backbone interact. energy: -1.548 local terms energy: -341.796348 where: bonds (distance) C4'-P energy: -55.511 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -45.724 tors. eta vs tors. theta energy: -94.654 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: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1029.381682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.381682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.381682 (E_RNA) where: Base-Base interactions energy: -700.912 where: short stacking energy: -279.765 Base-Backbone interact. energy: -0.991 local terms energy: -327.478651 where: bonds (distance) C4'-P energy: -67.453 bonds (distance) P-C4' energy: -61.966 flat angles C4'-P-C4' energy: -70.465 flat angles P-C4'-P energy: -46.281 tors. eta vs tors. theta energy: -81.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1050.785393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.785393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.785393 (E_RNA) where: Base-Base interactions energy: -710.921 where: short stacking energy: -319.503 Base-Backbone interact. energy: -1.472 local terms energy: -338.392355 where: bonds (distance) C4'-P energy: -49.309 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -77.922 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -101.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -809.141645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.141645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.141645 (E_RNA) where: Base-Base interactions energy: -541.726 where: short stacking energy: -231.420 Base-Backbone interact. energy: -1.153 local terms energy: -266.262195 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -55.831 flat angles C4'-P-C4' energy: -66.137 flat angles P-C4'-P energy: -31.612 tors. eta vs tors. theta energy: -58.603 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: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -720.287040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.287040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.287040 (E_RNA) where: Base-Base interactions energy: -459.273 where: short stacking energy: -202.216 Base-Backbone interact. energy: -1.334 local terms energy: -259.679561 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -45.542 flat angles C4'-P-C4' energy: -64.817 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -44.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -625.000916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.000916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.000916 (E_RNA) where: Base-Base interactions energy: -397.021 where: short stacking energy: -188.626 Base-Backbone interact. energy: -0.982 local terms energy: -226.998238 where: bonds (distance) C4'-P energy: -57.459 bonds (distance) P-C4' energy: -45.148 flat angles C4'-P-C4' energy: -58.051 flat angles P-C4'-P energy: -26.834 tors. eta vs tors. theta energy: -39.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -353.819540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.819540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.819540 (E_RNA) where: Base-Base interactions energy: -159.795 where: short stacking energy: -92.694 Base-Backbone interact. energy: -0.696 local terms energy: -193.328773 where: bonds (distance) C4'-P energy: -29.906 bonds (distance) P-C4' energy: -62.021 flat angles C4'-P-C4' energy: -54.739 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -3.864 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: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -269.399666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.399666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.399666 (E_RNA) where: Base-Base interactions energy: -104.514 where: short stacking energy: -67.424 Base-Backbone interact. energy: -3.162 local terms energy: -161.723689 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -43.132 flat angles C4'-P-C4' energy: -31.688 flat angles P-C4'-P energy: -33.825 tors. eta vs tors. theta energy: 4.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1191.413000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.413000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.413000 (E_RNA) where: Base-Base interactions energy: -848.534 where: short stacking energy: -324.994 Base-Backbone interact. energy: -0.701 local terms energy: -342.177524 where: bonds (distance) C4'-P energy: -56.993 bonds (distance) P-C4' energy: -73.380 flat angles C4'-P-C4' energy: -74.842 flat angles P-C4'-P energy: -39.586 tors. eta vs tors. theta energy: -97.376 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: 131 Temperature: 0.950000 Total energy: -1154.743845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.743845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.743845 (E_RNA) where: Base-Base interactions energy: -812.214 where: short stacking energy: -330.226 Base-Backbone interact. energy: -0.824 local terms energy: -341.705466 where: bonds (distance) C4'-P energy: -63.828 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -43.866 tors. eta vs tors. theta energy: -100.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1076.268822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.268822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.268822 (E_RNA) where: Base-Base interactions energy: -721.664 where: short stacking energy: -297.276 Base-Backbone interact. energy: -2.844 local terms energy: -351.760194 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -76.217 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: -97.465 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: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1024.114111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.114111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.114111 (E_RNA) where: Base-Base interactions energy: -693.290 where: short stacking energy: -282.559 Base-Backbone interact. energy: -2.186 local terms energy: -328.637717 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -63.092 flat angles C4'-P-C4' energy: -69.691 flat angles P-C4'-P energy: -48.888 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1008.712480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.712480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.712480 (E_RNA) where: Base-Base interactions energy: -698.692 where: short stacking energy: -287.321 Base-Backbone interact. energy: 1.768 local terms energy: -311.788221 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -67.694 flat angles C4'-P-C4' energy: -53.177 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -87.558 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: 6, replica: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -810.787779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.787779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.787779 (E_RNA) where: Base-Base interactions energy: -534.645 where: short stacking energy: -222.507 Base-Backbone interact. energy: -1.610 local terms energy: -274.532770 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -50.329 flat angles C4'-P-C4' energy: -48.782 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -61.087 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: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -679.019422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.019422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.019422 (E_RNA) where: Base-Base interactions energy: -436.634 where: short stacking energy: -206.755 Base-Backbone interact. energy: 0.800 local terms energy: -243.185950 where: bonds (distance) C4'-P energy: -46.883 bonds (distance) P-C4' energy: -57.742 flat angles C4'-P-C4' energy: -61.341 flat angles P-C4'-P energy: -25.952 tors. eta vs tors. theta energy: -51.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -611.669528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.669528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.669528 (E_RNA) where: Base-Base interactions energy: -396.359 where: short stacking energy: -177.643 Base-Backbone interact. energy: -0.400 local terms energy: -214.910467 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -54.739 flat angles P-C4'-P energy: -25.349 tors. eta vs tors. theta energy: -28.850 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: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -342.309507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.309507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.309507 (E_RNA) where: Base-Base interactions energy: -163.701 where: short stacking energy: -77.889 Base-Backbone interact. energy: -1.046 local terms energy: -177.562735 where: bonds (distance) C4'-P energy: -49.544 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -52.267 flat angles P-C4'-P energy: -21.825 tors. eta vs tors. theta energy: 10.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -317.308033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.308033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.308033 (E_RNA) where: Base-Base interactions energy: -136.939 where: short stacking energy: -99.151 Base-Backbone interact. energy: -1.659 local terms energy: -178.709081 where: bonds (distance) C4'-P energy: -49.056 bonds (distance) P-C4' energy: -52.803 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -23.339 tors. eta vs tors. theta energy: 0.514 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: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1187.018312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.018312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.018312 (E_RNA) where: Base-Base interactions energy: -828.817 where: short stacking energy: -334.409 Base-Backbone interact. energy: -2.041 local terms energy: -356.160024 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -68.501 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -106.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1159.970798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.970798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.970798 (E_RNA) where: Base-Base interactions energy: -811.644 where: short stacking energy: -300.231 Base-Backbone interact. energy: -2.010 local terms energy: -346.316796 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -77.326 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -90.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1070.275562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.275562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.275562 (E_RNA) where: Base-Base interactions energy: -719.663 where: short stacking energy: -308.824 Base-Backbone interact. energy: -1.523 local terms energy: -349.090416 where: bonds (distance) C4'-P energy: -73.346 bonds (distance) P-C4' energy: -57.892 flat angles C4'-P-C4' energy: -70.294 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -102.503 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: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1000.635188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.635188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.635188 (E_RNA) where: Base-Base interactions energy: -677.318 where: short stacking energy: -271.492 Base-Backbone interact. energy: -1.151 local terms energy: -322.166184 where: bonds (distance) C4'-P energy: -58.327 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: -83.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1016.325927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.325927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.325927 (E_RNA) where: Base-Base interactions energy: -694.104 where: short stacking energy: -283.786 Base-Backbone interact. energy: 0.419 local terms energy: -322.640704 where: bonds (distance) C4'-P energy: -53.403 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: -83.664 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: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -774.196235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.196235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.196235 (E_RNA) where: Base-Base interactions energy: -510.324 where: short stacking energy: -238.473 Base-Backbone interact. energy: -0.440 local terms energy: -263.432197 where: bonds (distance) C4'-P energy: -49.925 bonds (distance) P-C4' energy: -59.349 flat angles C4'-P-C4' energy: -57.904 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -60.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -691.155762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.155762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.155762 (E_RNA) where: Base-Base interactions energy: -441.774 where: short stacking energy: -193.332 Base-Backbone interact. energy: 4.878 local terms energy: -254.260217 where: bonds (distance) C4'-P energy: -53.477 bonds (distance) P-C4' energy: -64.740 flat angles C4'-P-C4' energy: -64.756 flat angles P-C4'-P energy: -33.081 tors. eta vs tors. theta energy: -38.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -663.728523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.728523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.728523 (E_RNA) where: Base-Base interactions energy: -403.418 where: short stacking energy: -209.748 Base-Backbone interact. energy: 0.411 local terms energy: -260.720945 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -57.563 flat angles C4'-P-C4' energy: -55.962 flat angles P-C4'-P energy: -39.717 tors. eta vs tors. theta energy: -45.318 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: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -354.209378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.209378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.209378 (E_RNA) where: Base-Base interactions energy: -159.757 where: short stacking energy: -97.938 Base-Backbone interact. energy: -2.355 local terms energy: -192.097830 where: bonds (distance) C4'-P energy: -58.877 bonds (distance) P-C4' energy: -62.853 flat angles C4'-P-C4' energy: -43.821 flat angles P-C4'-P energy: -28.714 tors. eta vs tors. theta energy: 2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -283.850485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.850485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.850485 (E_RNA) where: Base-Base interactions energy: -110.123 where: short stacking energy: -93.377 Base-Backbone interact. energy: -0.477 local terms energy: -173.250163 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -52.505 flat angles C4'-P-C4' energy: -46.342 flat angles P-C4'-P energy: -27.462 tors. eta vs tors. theta energy: 12.148 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: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1172.840603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.840603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.840603 (E_RNA) where: Base-Base interactions energy: -803.824 where: short stacking energy: -333.118 Base-Backbone interact. energy: 0.558 local terms energy: -369.574284 where: bonds (distance) C4'-P energy: -79.212 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -77.274 flat angles P-C4'-P energy: -52.052 tors. eta vs tors. theta energy: -100.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1114.517418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.517418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.517418 (E_RNA) where: Base-Base interactions energy: -767.664 where: short stacking energy: -326.995 Base-Backbone interact. energy: -1.657 local terms energy: -345.196025 where: bonds (distance) C4'-P energy: -62.625 bonds (distance) P-C4' energy: -65.229 flat angles C4'-P-C4' energy: -77.488 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: -95.544 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: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1140.094557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.094557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.094557 (E_RNA) where: Base-Base interactions energy: -804.424 where: short stacking energy: -304.231 Base-Backbone interact. energy: -0.307 local terms energy: -335.363409 where: bonds (distance) C4'-P energy: -60.347 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -69.013 flat angles P-C4'-P energy: -46.510 tors. eta vs tors. theta energy: -95.000 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: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1018.488913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.488913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.488913 (E_RNA) where: Base-Base interactions energy: -697.717 where: short stacking energy: -307.086 Base-Backbone interact. energy: 1.539 local terms energy: -322.311499 where: bonds (distance) C4'-P energy: -57.193 bonds (distance) P-C4' energy: -66.013 flat angles C4'-P-C4' energy: -72.940 flat angles P-C4'-P energy: -39.571 tors. eta vs tors. theta energy: -86.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -960.601004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.601004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.601004 (E_RNA) where: Base-Base interactions energy: -670.379 where: short stacking energy: -274.367 Base-Backbone interact. energy: -0.589 local terms energy: -289.632757 where: bonds (distance) C4'-P energy: -44.825 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -59.260 flat angles P-C4'-P energy: -51.654 tors. eta vs tors. theta energy: -71.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -782.741093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.741093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.741093 (E_RNA) where: Base-Base interactions energy: -517.535 where: short stacking energy: -238.852 Base-Backbone interact. energy: -0.952 local terms energy: -264.253653 where: bonds (distance) C4'-P energy: -47.263 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -35.298 tors. eta vs tors. theta energy: -57.302 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: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -692.397529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.397529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.397529 (E_RNA) where: Base-Base interactions energy: -440.221 where: short stacking energy: -171.800 Base-Backbone interact. energy: 0.262 local terms energy: -252.438384 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -53.378 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -34.861 tors. eta vs tors. theta energy: -42.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -637.933410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.933410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.933410 (E_RNA) where: Base-Base interactions energy: -409.544 where: short stacking energy: -198.480 Base-Backbone interact. energy: -0.726 local terms energy: -227.663433 where: bonds (distance) C4'-P energy: -48.597 bonds (distance) P-C4' energy: -53.323 flat angles C4'-P-C4' energy: -55.391 flat angles P-C4'-P energy: -27.008 tors. eta vs tors. theta energy: -43.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -375.536347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.536347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.536347 (E_RNA) where: Base-Base interactions energy: -189.843 where: short stacking energy: -105.431 Base-Backbone interact. energy: 1.229 local terms energy: -186.922739 where: bonds (distance) C4'-P energy: -58.026 bonds (distance) P-C4' energy: -62.664 flat angles C4'-P-C4' energy: -41.550 flat angles P-C4'-P energy: -24.446 tors. eta vs tors. theta energy: -0.238 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: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -295.931712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.931712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.931712 (E_RNA) where: Base-Base interactions energy: -103.497 where: short stacking energy: -93.877 Base-Backbone interact. energy: 0.432 local terms energy: -192.866179 where: bonds (distance) C4'-P energy: -49.043 bonds (distance) P-C4' energy: -59.384 flat angles C4'-P-C4' energy: -54.739 flat angles P-C4'-P energy: -32.846 tors. eta vs tors. theta energy: 3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1183.078498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.078498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.078498 (E_RNA) where: Base-Base interactions energy: -827.357 where: short stacking energy: -325.133 Base-Backbone interact. energy: 0.497 local terms energy: -356.218492 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -99.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1126.855218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.855218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.855218 (E_RNA) where: Base-Base interactions energy: -764.597 where: short stacking energy: -320.492 Base-Backbone interact. energy: -2.165 local terms energy: -360.093141 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -69.675 flat angles C4'-P-C4' energy: -77.383 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -99.101 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: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1138.833733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.833733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.833733 (E_RNA) where: Base-Base interactions energy: -817.731 where: short stacking energy: -309.635 Base-Backbone interact. energy: -2.438 local terms energy: -318.664433 where: bonds (distance) C4'-P energy: -58.365 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -65.012 flat angles P-C4'-P energy: -45.321 tors. eta vs tors. theta energy: -85.886 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: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1053.238522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.238522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.238522 (E_RNA) where: Base-Base interactions energy: -715.037 where: short stacking energy: -313.845 Base-Backbone interact. energy: -0.125 local terms energy: -338.076484 where: bonds (distance) C4'-P energy: -55.815 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -66.392 flat angles P-C4'-P energy: -48.889 tors. eta vs tors. theta energy: -99.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -987.826732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.826732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.826732 (E_RNA) where: Base-Base interactions energy: -679.282 where: short stacking energy: -281.903 Base-Backbone interact. energy: -2.063 local terms energy: -306.481418 where: bonds (distance) C4'-P energy: -64.355 bonds (distance) P-C4' energy: -57.799 flat angles C4'-P-C4' energy: -57.938 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: -81.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -765.592570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.592570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.592570 (E_RNA) where: Base-Base interactions energy: -488.577 where: short stacking energy: -225.652 Base-Backbone interact. energy: -1.602 local terms energy: -275.414116 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -53.951 flat angles C4'-P-C4' energy: -57.629 flat angles P-C4'-P energy: -40.231 tors. eta vs tors. theta energy: -54.072 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: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -667.564654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.564654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.564654 (E_RNA) where: Base-Base interactions energy: -440.509 where: short stacking energy: -174.022 Base-Backbone interact. energy: 0.555 local terms energy: -227.610444 where: bonds (distance) C4'-P energy: -45.892 bonds (distance) P-C4' energy: -52.187 flat angles C4'-P-C4' energy: -60.560 flat angles P-C4'-P energy: -37.597 tors. eta vs tors. theta energy: -31.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -680.405757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.405757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.405757 (E_RNA) where: Base-Base interactions energy: -423.297 where: short stacking energy: -169.450 Base-Backbone interact. energy: -2.307 local terms energy: -254.800962 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -59.782 flat angles C4'-P-C4' energy: -67.222 flat angles P-C4'-P energy: -33.432 tors. eta vs tors. theta energy: -38.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -340.055263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.055263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.055263 (E_RNA) where: Base-Base interactions energy: -156.322 where: short stacking energy: -93.713 Base-Backbone interact. energy: -2.663 local terms energy: -181.070298 where: bonds (distance) C4'-P energy: -45.890 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -47.071 flat angles P-C4'-P energy: -22.733 tors. eta vs tors. theta energy: 0.353 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: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -262.199936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.199936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.199936 (E_RNA) where: Base-Base interactions energy: -98.984 where: short stacking energy: -87.062 Base-Backbone interact. energy: -1.732 local terms energy: -161.484368 where: bonds (distance) C4'-P energy: -51.446 bonds (distance) P-C4' energy: -47.758 flat angles C4'-P-C4' energy: -50.539 flat angles P-C4'-P energy: -15.679 tors. eta vs tors. theta energy: 3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1189.324893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.324893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.324893 (E_RNA) where: Base-Base interactions energy: -825.688 where: short stacking energy: -307.859 Base-Backbone interact. energy: -1.635 local terms energy: -362.002228 where: bonds (distance) C4'-P energy: -73.209 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -54.131 tors. eta vs tors. theta energy: -95.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1160.160250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.160250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.160250 (E_RNA) where: Base-Base interactions energy: -822.978 where: short stacking energy: -320.995 Base-Backbone interact. energy: -1.311 local terms energy: -335.871630 where: bonds (distance) C4'-P energy: -61.101 bonds (distance) P-C4' energy: -65.695 flat angles C4'-P-C4' energy: -72.731 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -89.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1113.942027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.942027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.942027 (E_RNA) where: Base-Base interactions energy: -767.449 where: short stacking energy: -308.264 Base-Backbone interact. energy: -1.281 local terms energy: -345.212563 where: bonds (distance) C4'-P energy: -65.650 bonds (distance) P-C4' energy: -56.882 flat angles C4'-P-C4' energy: -77.325 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -100.586 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: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1014.313867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.313867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.313867 (E_RNA) where: Base-Base interactions energy: -713.811 where: short stacking energy: -271.437 Base-Backbone interact. energy: -1.067 local terms energy: -299.435937 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -55.159 flat angles C4'-P-C4' energy: -73.189 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -75.157 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: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -986.366837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.366837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.366837 (E_RNA) where: Base-Base interactions energy: -679.757 where: short stacking energy: -272.168 Base-Backbone interact. energy: -1.687 local terms energy: -304.922878 where: bonds (distance) C4'-P energy: -55.676 bonds (distance) P-C4' energy: -71.751 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -27.788 tors. eta vs tors. theta energy: -81.430 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: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -754.074572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.074572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.074572 (E_RNA) where: Base-Base interactions energy: -503.762 where: short stacking energy: -208.513 Base-Backbone interact. energy: -0.774 local terms energy: -249.538704 where: bonds (distance) C4'-P energy: -51.218 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -36.082 tors. eta vs tors. theta energy: -43.676 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: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -665.708541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.708541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.708541 (E_RNA) where: Base-Base interactions energy: -433.395 where: short stacking energy: -200.548 Base-Backbone interact. energy: -1.022 local terms energy: -231.291889 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -61.673 flat angles C4'-P-C4' energy: -60.486 flat angles P-C4'-P energy: -17.335 tors. eta vs tors. theta energy: -35.544 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: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -617.701288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.701288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.701288 (E_RNA) where: Base-Base interactions energy: -375.030 where: short stacking energy: -169.481 Base-Backbone interact. energy: -0.440 local terms energy: -242.231300 where: bonds (distance) C4'-P energy: -49.245 bonds (distance) P-C4' energy: -68.783 flat angles C4'-P-C4' energy: -64.110 flat angles P-C4'-P energy: -32.215 tors. eta vs tors. theta energy: -27.878 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: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -355.175426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.175426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.175426 (E_RNA) where: Base-Base interactions energy: -153.800 where: short stacking energy: -82.427 Base-Backbone interact. energy: -1.848 local terms energy: -199.527386 where: bonds (distance) C4'-P energy: -63.663 bonds (distance) P-C4' energy: -60.491 flat angles C4'-P-C4' energy: -52.634 flat angles P-C4'-P energy: -23.320 tors. eta vs tors. theta energy: 0.580 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: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -263.934870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.934870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.934870 (E_RNA) where: Base-Base interactions energy: -70.553 where: short stacking energy: -66.284 Base-Backbone interact. energy: -1.514 local terms energy: -191.867888 where: bonds (distance) C4'-P energy: -66.449 bonds (distance) P-C4' energy: -63.103 flat angles C4'-P-C4' energy: -46.519 flat angles P-C4'-P energy: -25.505 tors. eta vs tors. theta energy: 9.708 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: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1186.385478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.385478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.385478 (E_RNA) where: Base-Base interactions energy: -831.627 where: short stacking energy: -346.114 Base-Backbone interact. energy: -0.581 local terms energy: -354.177768 where: bonds (distance) C4'-P energy: -65.107 bonds (distance) P-C4' energy: -67.891 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -102.615 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: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1163.408276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.408276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.408276 (E_RNA) where: Base-Base interactions energy: -808.160 where: short stacking energy: -307.181 Base-Backbone interact. energy: -2.239 local terms energy: -353.009305 where: bonds (distance) C4'-P energy: -65.874 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -80.321 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -96.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1115.265323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.265323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.265323 (E_RNA) where: Base-Base interactions energy: -766.222 where: short stacking energy: -312.774 Base-Backbone interact. energy: -1.507 local terms energy: -347.536391 where: bonds (distance) C4'-P energy: -66.300 bonds (distance) P-C4' energy: -65.193 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -98.452 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: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1026.869726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.869726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.869726 (E_RNA) where: Base-Base interactions energy: -724.140 where: short stacking energy: -289.052 Base-Backbone interact. energy: 0.540 local terms energy: -303.269876 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -57.464 flat angles C4'-P-C4' energy: -68.249 flat angles P-C4'-P energy: -30.251 tors. eta vs tors. theta energy: -82.171 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: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1008.100150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.100150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.100150 (E_RNA) where: Base-Base interactions energy: -688.237 where: short stacking energy: -289.700 Base-Backbone interact. energy: -1.811 local terms energy: -318.052571 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -67.707 flat angles P-C4'-P energy: -46.011 tors. eta vs tors. theta energy: -88.693 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: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -718.089532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.089532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.089532 (E_RNA) where: Base-Base interactions energy: -477.490 where: short stacking energy: -198.653 Base-Backbone interact. energy: -0.383 local terms energy: -240.217128 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -42.332 flat angles C4'-P-C4' energy: -59.296 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -32.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -720.139245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.139245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.139245 (E_RNA) where: Base-Base interactions energy: -482.315 where: short stacking energy: -200.353 Base-Backbone interact. energy: 2.793 local terms energy: -240.617339 where: bonds (distance) C4'-P energy: -61.917 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -64.976 flat angles P-C4'-P energy: -29.677 tors. eta vs tors. theta energy: -28.791 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: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -577.828979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.828979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.828979 (E_RNA) where: Base-Base interactions energy: -364.371 where: short stacking energy: -175.627 Base-Backbone interact. energy: 1.881 local terms energy: -215.339037 where: bonds (distance) C4'-P energy: -55.643 bonds (distance) P-C4' energy: -49.946 flat angles C4'-P-C4' energy: -48.646 flat angles P-C4'-P energy: -35.777 tors. eta vs tors. theta energy: -25.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -360.579419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.579419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.579419 (E_RNA) where: Base-Base interactions energy: -167.231 where: short stacking energy: -100.310 Base-Backbone interact. energy: 2.016 local terms energy: -195.365138 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -48.418 flat angles P-C4'-P energy: -23.404 tors. eta vs tors. theta energy: -4.622 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: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -275.890681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.890681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.890681 (E_RNA) where: Base-Base interactions energy: -91.084 where: short stacking energy: -78.818 Base-Backbone interact. energy: -2.892 local terms energy: -181.914439 where: bonds (distance) C4'-P energy: -47.618 bonds (distance) P-C4' energy: -64.384 flat angles C4'-P-C4' energy: -54.630 flat angles P-C4'-P energy: -20.326 tors. eta vs tors. theta energy: 5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1183.762646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.762646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.762646 (E_RNA) where: Base-Base interactions energy: -820.398 where: short stacking energy: -326.715 Base-Backbone interact. energy: 0.543 local terms energy: -363.908053 where: bonds (distance) C4'-P energy: -69.465 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -74.100 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -104.866 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1153.670873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.670873 (E_RNA) where: Base-Base interactions energy: -822.345 where: short stacking energy: -310.024 Base-Backbone interact. energy: 0.408 local terms energy: -331.733841 where: bonds (distance) C4'-P energy: -57.352 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -94.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1095.209467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.209467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.209467 (E_RNA) where: Base-Base interactions energy: -769.913 where: short stacking energy: -309.146 Base-Backbone interact. energy: -0.662 local terms energy: -324.634871 where: bonds (distance) C4'-P energy: -53.354 bonds (distance) P-C4' energy: -69.843 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -91.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1039.447044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.447044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.447044 (E_RNA) where: Base-Base interactions energy: -702.522 where: short stacking energy: -319.104 Base-Backbone interact. energy: -1.220 local terms energy: -335.705251 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -93.947 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: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1006.056748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.056748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.056748 (E_RNA) where: Base-Base interactions energy: -698.395 where: short stacking energy: -280.487 Base-Backbone interact. energy: -2.378 local terms energy: -305.284049 where: bonds (distance) C4'-P energy: -48.629 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -61.591 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -82.122 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: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -770.425330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.425330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.425330 (E_RNA) where: Base-Base interactions energy: -511.254 where: short stacking energy: -219.038 Base-Backbone interact. energy: -2.470 local terms energy: -256.700542 where: bonds (distance) C4'-P energy: -58.830 bonds (distance) P-C4' energy: -57.828 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -39.838 tors. eta vs tors. theta energy: -43.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -688.864166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.864166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.864166 (E_RNA) where: Base-Base interactions energy: -442.870 where: short stacking energy: -183.822 Base-Backbone interact. energy: -1.051 local terms energy: -244.942988 where: bonds (distance) C4'-P energy: -54.648 bonds (distance) P-C4' energy: -60.257 flat angles C4'-P-C4' energy: -68.238 flat angles P-C4'-P energy: -32.581 tors. eta vs tors. theta energy: -29.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -600.925832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.925832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.925832 (E_RNA) where: Base-Base interactions energy: -357.095 where: short stacking energy: -169.064 Base-Backbone interact. energy: -0.973 local terms energy: -242.858387 where: bonds (distance) C4'-P energy: -60.278 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -53.372 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -33.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -404.935536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.935536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.935536 (E_RNA) where: Base-Base interactions energy: -220.866 where: short stacking energy: -118.534 Base-Backbone interact. energy: -0.685 local terms energy: -183.383776 where: bonds (distance) C4'-P energy: -51.633 bonds (distance) P-C4' energy: -60.723 flat angles C4'-P-C4' energy: -46.739 flat angles P-C4'-P energy: -28.886 tors. eta vs tors. theta energy: 4.598 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: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -281.004552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.004552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.004552 (E_RNA) where: Base-Base interactions energy: -94.336 where: short stacking energy: -77.195 Base-Backbone interact. energy: -1.657 local terms energy: -185.010824 where: bonds (distance) C4'-P energy: -56.435 bonds (distance) P-C4' energy: -69.031 flat angles C4'-P-C4' energy: -47.350 flat angles P-C4'-P energy: -21.446 tors. eta vs tors. theta energy: 9.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1193.705470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.705470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.705470 (E_RNA) where: Base-Base interactions energy: -838.060 where: short stacking energy: -332.472 Base-Backbone interact. energy: 1.193 local terms energy: -356.838207 where: bonds (distance) C4'-P energy: -69.763 bonds (distance) P-C4' energy: -70.106 flat angles C4'-P-C4' energy: -73.996 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -91.723 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: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1164.483979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.483979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.483979 (E_RNA) where: Base-Base interactions energy: -827.526 where: short stacking energy: -327.353 Base-Backbone interact. energy: -0.483 local terms energy: -336.475783 where: bonds (distance) C4'-P energy: -66.670 bonds (distance) P-C4' energy: -55.986 flat angles C4'-P-C4' energy: -72.104 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -99.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1101.650179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.650179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.650179 (E_RNA) where: Base-Base interactions energy: -751.050 where: short stacking energy: -304.536 Base-Backbone interact. energy: -2.789 local terms energy: -347.810627 where: bonds (distance) C4'-P energy: -61.468 bonds (distance) P-C4' energy: -68.077 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -99.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1053.948136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.948136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.948136 (E_RNA) where: Base-Base interactions energy: -714.972 where: short stacking energy: -313.050 Base-Backbone interact. energy: -1.491 local terms energy: -337.485188 where: bonds (distance) C4'-P energy: -59.514 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -74.233 flat angles P-C4'-P energy: -41.674 tors. eta vs tors. theta energy: -97.556 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: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -980.797861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.797861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.797861 (E_RNA) where: Base-Base interactions energy: -670.179 where: short stacking energy: -272.525 Base-Backbone interact. energy: -1.310 local terms energy: -309.309064 where: bonds (distance) C4'-P energy: -50.059 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -68.944 flat angles P-C4'-P energy: -46.492 tors. eta vs tors. theta energy: -83.042 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: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -777.567305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.567305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.567305 (E_RNA) where: Base-Base interactions energy: -515.834 where: short stacking energy: -209.139 Base-Backbone interact. energy: 0.254 local terms energy: -261.987571 where: bonds (distance) C4'-P energy: -40.420 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -63.236 flat angles P-C4'-P energy: -37.008 tors. eta vs tors. theta energy: -59.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -740.575327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.575327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.575327 (E_RNA) where: Base-Base interactions energy: -482.311 where: short stacking energy: -202.103 Base-Backbone interact. energy: -1.695 local terms energy: -256.569350 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -64.063 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: -37.584 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: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -572.709888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.709888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.709888 (E_RNA) where: Base-Base interactions energy: -329.707 where: short stacking energy: -154.245 Base-Backbone interact. energy: 0.053 local terms energy: -243.055404 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -64.206 flat angles C4'-P-C4' energy: -62.857 flat angles P-C4'-P energy: -32.997 tors. eta vs tors. theta energy: -26.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -405.209893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.209893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.209893 (E_RNA) where: Base-Base interactions energy: -208.206 where: short stacking energy: -121.062 Base-Backbone interact. energy: -1.321 local terms energy: -195.683324 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -35.729 flat angles P-C4'-P energy: -37.655 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: 10, replica: 2 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -251.449006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.449006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.449006 (E_RNA) where: Base-Base interactions energy: -83.504 where: short stacking energy: -71.224 Base-Backbone interact. energy: -0.897 local terms energy: -167.048055 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -61.830 flat angles C4'-P-C4' energy: -35.042 flat angles P-C4'-P energy: -22.197 tors. eta vs tors. theta energy: 13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1197.558559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.558559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.558559 (E_RNA) where: Base-Base interactions energy: -825.835 where: short stacking energy: -319.373 Base-Backbone interact. energy: -1.756 local terms energy: -369.968067 where: bonds (distance) C4'-P energy: -76.713 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -70.392 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -101.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1166.040963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.040963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.040963 (E_RNA) where: Base-Base interactions energy: -810.191 where: short stacking energy: -331.476 Base-Backbone interact. energy: -1.155 local terms energy: -354.695128 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -71.408 flat angles P-C4'-P energy: -50.559 tors. eta vs tors. theta energy: -100.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1069.950295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.950295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.950295 (E_RNA) where: Base-Base interactions energy: -735.869 where: short stacking energy: -311.612 Base-Backbone interact. energy: -1.972 local terms energy: -332.109863 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -62.007 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -42.279 tors. eta vs tors. theta energy: -93.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1010.637468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.637468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.637468 (E_RNA) where: Base-Base interactions energy: -688.263 where: short stacking energy: -287.213 Base-Backbone interact. energy: -0.704 local terms energy: -321.669925 where: bonds (distance) C4'-P energy: -59.967 bonds (distance) P-C4' energy: -66.147 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -89.222 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: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -983.275326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.275326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.275326 (E_RNA) where: Base-Base interactions energy: -672.158 where: short stacking energy: -264.522 Base-Backbone interact. energy: 0.964 local terms energy: -312.081498 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -58.686 flat angles C4'-P-C4' energy: -64.726 flat angles P-C4'-P energy: -48.369 tors. eta vs tors. theta energy: -87.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -783.280495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.280495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.280495 (E_RNA) where: Base-Base interactions energy: -526.684 where: short stacking energy: -227.746 Base-Backbone interact. energy: -0.451 local terms energy: -256.145193 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -46.327 flat angles C4'-P-C4' energy: -58.700 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -51.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -812.313816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.313816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.313816 (E_RNA) where: Base-Base interactions energy: -551.608 where: short stacking energy: -226.469 Base-Backbone interact. energy: -1.018 local terms energy: -259.688019 where: bonds (distance) C4'-P energy: -38.213 bonds (distance) P-C4' energy: -66.398 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -52.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -539.120669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.120669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.120669 (E_RNA) where: Base-Base interactions energy: -327.068 where: short stacking energy: -163.505 Base-Backbone interact. energy: 4.133 local terms energy: -216.186055 where: bonds (distance) C4'-P energy: -58.128 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -57.043 flat angles P-C4'-P energy: -26.605 tors. eta vs tors. theta energy: -18.280 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: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -418.228288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.228288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.228288 (E_RNA) where: Base-Base interactions energy: -198.379 where: short stacking energy: -107.083 Base-Backbone interact. energy: 1.432 local terms energy: -221.281402 where: bonds (distance) C4'-P energy: -46.223 bonds (distance) P-C4' energy: -76.181 flat angles C4'-P-C4' energy: -59.450 flat angles P-C4'-P energy: -35.904 tors. eta vs tors. theta energy: -3.524 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: 2 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -303.221209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.221209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.221209 (E_RNA) where: Base-Base interactions energy: -140.459 where: short stacking energy: -98.919 Base-Backbone interact. energy: -1.369 local terms energy: -161.392529 where: bonds (distance) C4'-P energy: -45.950 bonds (distance) P-C4' energy: -44.257 flat angles C4'-P-C4' energy: -39.810 flat angles P-C4'-P energy: -28.914 tors. eta vs tors. theta energy: -2.462 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: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1196.816930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.816930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.816930 (E_RNA) where: Base-Base interactions energy: -842.672 where: short stacking energy: -335.487 Base-Backbone interact. energy: -0.029 local terms energy: -354.115949 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -74.850 flat angles C4'-P-C4' energy: -71.261 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -98.496 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: 140 Temperature: 0.950000 Total energy: -1167.293143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.293143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.293143 (E_RNA) where: Base-Base interactions energy: -809.944 where: short stacking energy: -336.319 Base-Backbone interact. energy: 0.165 local terms energy: -357.514352 where: bonds (distance) C4'-P energy: -64.920 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -97.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1074.986719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.986719 (E_RNA) where: Base-Base interactions energy: -724.176 where: short stacking energy: -297.557 Base-Backbone interact. energy: -1.351 local terms energy: -349.460071 where: bonds (distance) C4'-P energy: -66.727 bonds (distance) P-C4' energy: -72.862 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -91.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1034.392560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.392560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.392560 (E_RNA) where: Base-Base interactions energy: -716.324 where: short stacking energy: -291.725 Base-Backbone interact. energy: -0.161 local terms energy: -317.907306 where: bonds (distance) C4'-P energy: -53.078 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: -81.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -986.866398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.866398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.866398 (E_RNA) where: Base-Base interactions energy: -681.992 where: short stacking energy: -294.036 Base-Backbone interact. energy: 1.444 local terms energy: -306.318599 where: bonds (distance) C4'-P energy: -57.357 bonds (distance) P-C4' energy: -60.045 flat angles C4'-P-C4' energy: -64.327 flat angles P-C4'-P energy: -42.461 tors. eta vs tors. theta energy: -82.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -761.598588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.598588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.598588 (E_RNA) where: Base-Base interactions energy: -494.947 where: short stacking energy: -212.931 Base-Backbone interact. energy: -0.924 local terms energy: -265.726809 where: bonds (distance) C4'-P energy: -52.621 bonds (distance) P-C4' energy: -65.301 flat angles C4'-P-C4' energy: -63.047 flat angles P-C4'-P energy: -37.172 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -776.488248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.488248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.488248 (E_RNA) where: Base-Base interactions energy: -526.180 where: short stacking energy: -211.203 Base-Backbone interact. energy: -2.047 local terms energy: -248.261018 where: bonds (distance) C4'-P energy: -63.717 bonds (distance) P-C4' energy: -58.608 flat angles C4'-P-C4' energy: -44.714 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -37.020 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: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -553.825689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.825689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.825689 (E_RNA) where: Base-Base interactions energy: -349.609 where: short stacking energy: -149.920 Base-Backbone interact. energy: -1.370 local terms energy: -202.845919 where: bonds (distance) C4'-P energy: -56.089 bonds (distance) P-C4' energy: -53.058 flat angles C4'-P-C4' energy: -53.548 flat angles P-C4'-P energy: -32.302 tors. eta vs tors. theta energy: -7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -424.865225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.865225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.865225 (E_RNA) where: Base-Base interactions energy: -215.994 where: short stacking energy: -112.266 Base-Backbone interact. energy: 0.037 local terms energy: -208.908467 where: bonds (distance) C4'-P energy: -55.416 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -41.198 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -11.210 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: 10, replica: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -256.412442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.412442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.412442 (E_RNA) where: Base-Base interactions energy: -95.944 where: short stacking energy: -68.462 Base-Backbone interact. energy: 2.168 local terms energy: -162.636420 where: bonds (distance) C4'-P energy: -57.233 bonds (distance) P-C4' energy: -42.174 flat angles C4'-P-C4' energy: -42.427 flat angles P-C4'-P energy: -26.640 tors. eta vs tors. theta energy: 5.838 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: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1186.107781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.107781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.107781 (E_RNA) where: Base-Base interactions energy: -838.661 where: short stacking energy: -313.434 Base-Backbone interact. energy: 1.101 local terms energy: -348.548533 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -63.145 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -91.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1177.546269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.546269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.546269 (E_RNA) where: Base-Base interactions energy: -828.011 where: short stacking energy: -327.028 Base-Backbone interact. energy: 0.223 local terms energy: -349.758438 where: bonds (distance) C4'-P energy: -54.328 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -49.439 tors. eta vs tors. theta energy: -94.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1071.380602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.380602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.380602 (E_RNA) where: Base-Base interactions energy: -748.024 where: short stacking energy: -296.829 Base-Backbone interact. energy: -3.691 local terms energy: -319.665359 where: bonds (distance) C4'-P energy: -65.739 bonds (distance) P-C4' energy: -56.491 flat angles C4'-P-C4' energy: -67.597 flat angles P-C4'-P energy: -38.738 tors. eta vs tors. theta energy: -91.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1027.362517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.362517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.362517 (E_RNA) where: Base-Base interactions energy: -698.799 where: short stacking energy: -289.131 Base-Backbone interact. energy: -1.295 local terms energy: -327.268776 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -53.817 flat angles C4'-P-C4' energy: -67.645 flat angles P-C4'-P energy: -51.852 tors. eta vs tors. theta energy: -87.586 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: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -960.859167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.859167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.859167 (E_RNA) where: Base-Base interactions energy: -653.099 where: short stacking energy: -276.634 Base-Backbone interact. energy: 0.180 local terms energy: -307.940314 where: bonds (distance) C4'-P energy: -54.106 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -62.219 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -82.518 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: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -789.554440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.554440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.554440 (E_RNA) where: Base-Base interactions energy: -534.745 where: short stacking energy: -209.579 Base-Backbone interact. energy: -0.039 local terms energy: -254.769531 where: bonds (distance) C4'-P energy: -52.663 bonds (distance) P-C4' energy: -68.562 flat angles C4'-P-C4' energy: -49.306 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: -43.978 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: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -818.494174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.494174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.494174 (E_RNA) where: Base-Base interactions energy: -554.737 where: short stacking energy: -226.234 Base-Backbone interact. energy: 1.208 local terms energy: -264.964948 where: bonds (distance) C4'-P energy: -56.116 bonds (distance) P-C4' energy: -52.978 flat angles C4'-P-C4' energy: -59.446 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: -51.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -589.072549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.072549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.072549 (E_RNA) where: Base-Base interactions energy: -336.058 where: short stacking energy: -161.076 Base-Backbone interact. energy: -0.943 local terms energy: -252.071779 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -58.715 flat angles C4'-P-C4' energy: -53.438 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -33.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -469.923045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.923045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.923045 (E_RNA) where: Base-Base interactions energy: -270.856 where: short stacking energy: -131.608 Base-Backbone interact. energy: -1.293 local terms energy: -197.774124 where: bonds (distance) C4'-P energy: -57.689 bonds (distance) P-C4' energy: -57.229 flat angles C4'-P-C4' energy: -44.032 flat angles P-C4'-P energy: -28.204 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -269.188739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.188739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.188739 (E_RNA) where: Base-Base interactions energy: -95.323 where: short stacking energy: -66.244 Base-Backbone interact. energy: 4.957 local terms energy: -178.823245 where: bonds (distance) C4'-P energy: -54.599 bonds (distance) P-C4' energy: -55.125 flat angles C4'-P-C4' energy: -53.117 flat angles P-C4'-P energy: -26.577 tors. eta vs tors. theta energy: 10.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1205.487753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.487753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.487753 (E_RNA) where: Base-Base interactions energy: -835.998 where: short stacking energy: -323.806 Base-Backbone interact. energy: -2.727 local terms energy: -366.762678 where: bonds (distance) C4'-P energy: -69.119 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: -98.595 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: 142 Temperature: 0.950000 Total energy: -1127.236847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.236847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.236847 (E_RNA) where: Base-Base interactions energy: -798.348 where: short stacking energy: -314.554 Base-Backbone interact. energy: -1.179 local terms energy: -327.709645 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -61.264 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -44.061 tors. eta vs tors. theta energy: -100.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1078.914170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.914170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.914170 (E_RNA) where: Base-Base interactions energy: -735.708 where: short stacking energy: -301.485 Base-Backbone interact. energy: -1.099 local terms energy: -342.107014 where: bonds (distance) C4'-P energy: -65.435 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -70.470 flat angles P-C4'-P energy: -44.651 tors. eta vs tors. theta energy: -94.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1018.703827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.703827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.703827 (E_RNA) where: Base-Base interactions energy: -701.037 where: short stacking energy: -296.156 Base-Backbone interact. energy: -0.542 local terms energy: -317.124980 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -58.122 flat angles C4'-P-C4' energy: -67.554 flat angles P-C4'-P energy: -42.511 tors. eta vs tors. theta energy: -88.040 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: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -979.415771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.415771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.415771 (E_RNA) where: Base-Base interactions energy: -642.835 where: short stacking energy: -255.983 Base-Backbone interact. energy: -0.019 local terms energy: -336.561930 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -68.755 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: -90.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -761.812556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.812556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.812556 (E_RNA) where: Base-Base interactions energy: -498.143 where: short stacking energy: -209.228 Base-Backbone interact. energy: 0.077 local terms energy: -263.746550 where: bonds (distance) C4'-P energy: -52.047 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -60.653 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -46.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -809.699607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.699607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.699607 (E_RNA) where: Base-Base interactions energy: -556.138 where: short stacking energy: -225.271 Base-Backbone interact. energy: -1.673 local terms energy: -251.888750 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -50.952 flat angles C4'-P-C4' energy: -52.349 flat angles P-C4'-P energy: -32.888 tors. eta vs tors. theta energy: -57.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -592.985091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.985091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.985091 (E_RNA) where: Base-Base interactions energy: -352.455 where: short stacking energy: -180.663 Base-Backbone interact. energy: -1.283 local terms energy: -239.246396 where: bonds (distance) C4'-P energy: -66.837 bonds (distance) P-C4' energy: -62.811 flat angles C4'-P-C4' energy: -56.056 flat angles P-C4'-P energy: -24.310 tors. eta vs tors. theta energy: -29.233 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: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -481.392400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.392400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.392400 (E_RNA) where: Base-Base interactions energy: -262.037 where: short stacking energy: -132.309 Base-Backbone interact. energy: -1.868 local terms energy: -217.487799 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -73.424 flat angles C4'-P-C4' energy: -48.383 flat angles P-C4'-P energy: -26.236 tors. eta vs tors. theta energy: -14.394 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: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -295.626963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.626963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.626963 (E_RNA) where: Base-Base interactions energy: -112.037 where: short stacking energy: -83.874 Base-Backbone interact. energy: 2.558 local terms energy: -186.147731 where: bonds (distance) C4'-P energy: -42.860 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -27.086 tors. eta vs tors. theta energy: 7.832 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: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1185.487068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.487068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.487068 (E_RNA) where: Base-Base interactions energy: -832.616 where: short stacking energy: -324.589 Base-Backbone interact. energy: -1.562 local terms energy: -351.308970 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -71.473 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -96.134 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: 143 Temperature: 0.950000 Total energy: -1147.535269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.535269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.535269 (E_RNA) where: Base-Base interactions energy: -810.372 where: short stacking energy: -340.392 Base-Backbone interact. energy: -1.343 local terms energy: -335.819994 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -59.165 flat angles C4'-P-C4' energy: -72.200 flat angles P-C4'-P energy: -49.377 tors. eta vs tors. theta energy: -99.657 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: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1057.734429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.734429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.734429 (E_RNA) where: Base-Base interactions energy: -710.973 where: short stacking energy: -292.596 Base-Backbone interact. energy: -0.458 local terms energy: -346.303249 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -61.305 flat angles C4'-P-C4' energy: -74.557 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -94.462 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: 4, replica: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1025.134230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.134230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.134230 (E_RNA) where: Base-Base interactions energy: -689.563 where: short stacking energy: -290.477 Base-Backbone interact. energy: -1.518 local terms energy: -334.053333 where: bonds (distance) C4'-P energy: -69.028 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -73.729 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -89.664 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -988.037640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.037640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.037640 (E_RNA) where: Base-Base interactions energy: -692.156 where: short stacking energy: -275.498 Base-Backbone interact. energy: -1.895 local terms energy: -293.987048 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -63.209 flat angles P-C4'-P energy: -34.642 tors. eta vs tors. theta energy: -80.956 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: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -887.893772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.893772 (E_RNA) where: Base-Base interactions energy: -634.213 where: short stacking energy: -241.294 Base-Backbone interact. energy: 1.752 local terms energy: -255.432608 where: bonds (distance) C4'-P energy: -47.240 bonds (distance) P-C4' energy: -58.883 flat angles C4'-P-C4' energy: -54.235 flat angles P-C4'-P energy: -32.154 tors. eta vs tors. theta energy: -62.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -740.287790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.287790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.287790 (E_RNA) where: Base-Base interactions energy: -480.684 where: short stacking energy: -215.716 Base-Backbone interact. energy: 5.670 local terms energy: -265.273744 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -60.289 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -48.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -601.186636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.186636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.186636 (E_RNA) where: Base-Base interactions energy: -367.449 where: short stacking energy: -171.133 Base-Backbone interact. energy: -0.610 local terms energy: -233.127857 where: bonds (distance) C4'-P energy: -51.169 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -51.190 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -35.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -471.894866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.894866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.894866 (E_RNA) where: Base-Base interactions energy: -265.236 where: short stacking energy: -123.576 Base-Backbone interact. energy: 0.313 local terms energy: -206.970996 where: bonds (distance) C4'-P energy: -50.034 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -53.677 flat angles P-C4'-P energy: -26.523 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -284.229332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.229332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.229332 (E_RNA) where: Base-Base interactions energy: -119.220 where: short stacking energy: -97.623 Base-Backbone interact. energy: -0.780 local terms energy: -164.229519 where: bonds (distance) C4'-P energy: -44.990 bonds (distance) P-C4' energy: -51.404 flat angles C4'-P-C4' energy: -38.614 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: 10.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1193.721260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.721260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.721260 (E_RNA) where: Base-Base interactions energy: -852.154 where: short stacking energy: -334.997 Base-Backbone interact. energy: -3.855 local terms energy: -337.712246 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -65.420 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -94.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1152.256946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.256946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.256946 (E_RNA) where: Base-Base interactions energy: -795.517 where: short stacking energy: -332.654 Base-Backbone interact. energy: -0.888 local terms energy: -355.851798 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: -100.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1056.625909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.625909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.625909 (E_RNA) where: Base-Base interactions energy: -726.575 where: short stacking energy: -312.005 Base-Backbone interact. energy: -2.255 local terms energy: -327.795891 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -55.516 flat angles C4'-P-C4' energy: -71.394 flat angles P-C4'-P energy: -50.967 tors. eta vs tors. theta energy: -87.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1023.603054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.603054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.603054 (E_RNA) where: Base-Base interactions energy: -691.313 where: short stacking energy: -279.187 Base-Backbone interact. energy: -0.693 local terms energy: -331.597058 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -75.176 flat angles P-C4'-P energy: -48.820 tors. eta vs tors. theta energy: -85.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -987.066555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.066555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.066555 (E_RNA) where: Base-Base interactions energy: -678.981 where: short stacking energy: -273.134 Base-Backbone interact. energy: -1.878 local terms energy: -306.207187 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -53.705 flat angles C4'-P-C4' energy: -66.315 flat angles P-C4'-P energy: -39.174 tors. eta vs tors. theta energy: -81.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -933.779764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.779764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.779764 (E_RNA) where: Base-Base interactions energy: -642.917 where: short stacking energy: -253.999 Base-Backbone interact. energy: -2.627 local terms energy: -288.235199 where: bonds (distance) C4'-P energy: -45.556 bonds (distance) P-C4' energy: -66.014 flat angles C4'-P-C4' energy: -59.908 flat angles P-C4'-P energy: -45.312 tors. eta vs tors. theta energy: -71.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -718.287640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.287640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.287640 (E_RNA) where: Base-Base interactions energy: -467.668 where: short stacking energy: -203.326 Base-Backbone interact. energy: -0.776 local terms energy: -249.843830 where: bonds (distance) C4'-P energy: -52.345 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -32.124 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: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -655.374359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.374359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.374359 (E_RNA) where: Base-Base interactions energy: -407.658 where: short stacking energy: -194.009 Base-Backbone interact. energy: 1.055 local terms energy: -248.771200 where: bonds (distance) C4'-P energy: -56.182 bonds (distance) P-C4' energy: -70.292 flat angles C4'-P-C4' energy: -43.538 flat angles P-C4'-P energy: -32.200 tors. eta vs tors. theta energy: -46.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -474.832305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.832305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.832305 (E_RNA) where: Base-Base interactions energy: -256.058 where: short stacking energy: -129.207 Base-Backbone interact. energy: 0.126 local terms energy: -218.899972 where: bonds (distance) C4'-P energy: -48.885 bonds (distance) P-C4' energy: -57.608 flat angles C4'-P-C4' energy: -52.826 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -16.179 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: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -266.875915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.875915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.875915 (E_RNA) where: Base-Base interactions energy: -96.491 where: short stacking energy: -80.743 Base-Backbone interact. energy: 0.579 local terms energy: -170.963432 where: bonds (distance) C4'-P energy: -46.677 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -43.590 flat angles P-C4'-P energy: -37.368 tors. eta vs tors. theta energy: 12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1198.121769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.121769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.121769 (E_RNA) where: Base-Base interactions energy: -851.844 where: short stacking energy: -329.369 Base-Backbone interact. energy: -2.135 local terms energy: -344.143209 where: bonds (distance) C4'-P energy: -67.024 bonds (distance) P-C4' energy: -69.283 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -43.875 tors. eta vs tors. theta energy: -93.104 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: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1171.177804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.177804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.177804 (E_RNA) where: Base-Base interactions energy: -819.723 where: short stacking energy: -333.260 Base-Backbone interact. energy: 0.761 local terms energy: -352.215477 where: bonds (distance) C4'-P energy: -62.360 bonds (distance) P-C4' energy: -53.558 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -53.532 tors. eta vs tors. theta energy: -106.517 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: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1045.171203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.171203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.171203 (E_RNA) where: Base-Base interactions energy: -709.925 where: short stacking energy: -287.150 Base-Backbone interact. energy: -1.264 local terms energy: -333.983101 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -75.789 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -86.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1043.420989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.420989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.420989 (E_RNA) where: Base-Base interactions energy: -719.235 where: short stacking energy: -311.287 Base-Backbone interact. energy: -2.093 local terms energy: -322.092435 where: bonds (distance) C4'-P energy: -46.958 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -71.483 flat angles P-C4'-P energy: -46.515 tors. eta vs tors. theta energy: -96.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -995.111156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.111156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.111156 (E_RNA) where: Base-Base interactions energy: -687.297 where: short stacking energy: -288.353 Base-Backbone interact. energy: -2.521 local terms energy: -305.292918 where: bonds (distance) C4'-P energy: -43.536 bonds (distance) P-C4' energy: -57.831 flat angles C4'-P-C4' energy: -71.214 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -86.956 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: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -918.947994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.947994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.947994 (E_RNA) where: Base-Base interactions energy: -629.334 where: short stacking energy: -242.772 Base-Backbone interact. energy: -2.465 local terms energy: -287.149175 where: bonds (distance) C4'-P energy: -47.963 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -60.854 flat angles P-C4'-P energy: -36.304 tors. eta vs tors. theta energy: -76.362 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: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -713.296933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.296933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.296933 (E_RNA) where: Base-Base interactions energy: -467.504 where: short stacking energy: -214.376 Base-Backbone interact. energy: -1.316 local terms energy: -244.476496 where: bonds (distance) C4'-P energy: -48.164 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -58.370 flat angles P-C4'-P energy: -40.080 tors. eta vs tors. theta energy: -40.281 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: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -668.545883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.545883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.545883 (E_RNA) where: Base-Base interactions energy: -429.761 where: short stacking energy: -185.675 Base-Backbone interact. energy: -1.033 local terms energy: -237.751174 where: bonds (distance) C4'-P energy: -55.188 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -43.054 flat angles P-C4'-P energy: -37.221 tors. eta vs tors. theta energy: -40.829 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: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -468.802347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.802347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.802347 (E_RNA) where: Base-Base interactions energy: -298.680 where: short stacking energy: -137.772 Base-Backbone interact. energy: 0.016 local terms energy: -170.138020 where: bonds (distance) C4'-P energy: -33.254 bonds (distance) P-C4' energy: -53.706 flat angles C4'-P-C4' energy: -54.154 flat angles P-C4'-P energy: -17.635 tors. eta vs tors. theta energy: -11.389 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: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -260.393132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.393132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.393132 (E_RNA) where: Base-Base interactions energy: -92.986 where: short stacking energy: -75.010 Base-Backbone interact. energy: 1.153 local terms energy: -168.560762 where: bonds (distance) C4'-P energy: -44.827 bonds (distance) P-C4' energy: -59.385 flat angles C4'-P-C4' energy: -43.683 flat angles P-C4'-P energy: -27.157 tors. eta vs tors. theta energy: 6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1199.408001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.408001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.408001 (E_RNA) where: Base-Base interactions energy: -851.283 where: short stacking energy: -344.213 Base-Backbone interact. energy: -0.334 local terms energy: -347.791334 where: bonds (distance) C4'-P energy: -60.675 bonds (distance) P-C4' energy: -62.024 flat angles C4'-P-C4' energy: -75.829 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -98.142 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: 146 Temperature: 0.950000 Total energy: -1158.814534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.814534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.814534 (E_RNA) where: Base-Base interactions energy: -805.803 where: short stacking energy: -306.120 Base-Backbone interact. energy: -1.061 local terms energy: -351.950639 where: bonds (distance) C4'-P energy: -65.760 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -76.956 flat angles P-C4'-P energy: -44.449 tors. eta vs tors. theta energy: -95.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1079.031382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.031382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.031382 (E_RNA) where: Base-Base interactions energy: -742.678 where: short stacking energy: -302.314 Base-Backbone interact. energy: -1.786 local terms energy: -334.567009 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -59.666 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -100.806 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: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1027.475798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.475798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.475798 (E_RNA) where: Base-Base interactions energy: -696.956 where: short stacking energy: -279.363 Base-Backbone interact. energy: -1.957 local terms energy: -328.562985 where: bonds (distance) C4'-P energy: -73.436 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -64.601 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: -86.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -981.314377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.314377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.314377 (E_RNA) where: Base-Base interactions energy: -664.288 where: short stacking energy: -284.667 Base-Backbone interact. energy: -2.068 local terms energy: -314.958269 where: bonds (distance) C4'-P energy: -63.050 bonds (distance) P-C4' energy: -63.811 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -78.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -964.758409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.758409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.758409 (E_RNA) where: Base-Base interactions energy: -655.551 where: short stacking energy: -261.169 Base-Backbone interact. energy: -0.363 local terms energy: -308.844591 where: bonds (distance) C4'-P energy: -62.019 bonds (distance) P-C4' energy: -59.661 flat angles C4'-P-C4' energy: -65.370 flat angles P-C4'-P energy: -46.901 tors. eta vs tors. theta energy: -74.894 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: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -675.131525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.131525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.131525 (E_RNA) where: Base-Base interactions energy: -436.416 where: short stacking energy: -188.930 Base-Backbone interact. energy: -1.099 local terms energy: -237.616090 where: bonds (distance) C4'-P energy: -44.225 bonds (distance) P-C4' energy: -66.021 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -33.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -653.701363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.701363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.701363 (E_RNA) where: Base-Base interactions energy: -412.707 where: short stacking energy: -186.364 Base-Backbone interact. energy: 1.732 local terms energy: -242.726328 where: bonds (distance) C4'-P energy: -54.425 bonds (distance) P-C4' energy: -61.500 flat angles C4'-P-C4' energy: -48.779 flat angles P-C4'-P energy: -36.538 tors. eta vs tors. theta energy: -41.485 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: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -491.082553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.082553 (E_RNA) where: Base-Base interactions energy: -268.380 where: short stacking energy: -124.063 Base-Backbone interact. energy: -0.723 local terms energy: -221.979646 where: bonds (distance) C4'-P energy: -63.830 bonds (distance) P-C4' energy: -62.037 flat angles C4'-P-C4' energy: -60.082 flat angles P-C4'-P energy: -17.491 tors. eta vs tors. theta energy: -18.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -278.204701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.204701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.204701 (E_RNA) where: Base-Base interactions energy: -108.078 where: short stacking energy: -80.173 Base-Backbone interact. energy: 2.016 local terms energy: -172.142172 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -55.377 flat angles C4'-P-C4' energy: -47.666 flat angles P-C4'-P energy: -27.497 tors. eta vs tors. theta energy: 13.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1212.484710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.484710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.484710 (E_RNA) where: Base-Base interactions energy: -856.449 where: short stacking energy: -331.848 Base-Backbone interact. energy: -1.798 local terms energy: -354.237994 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -74.320 flat angles P-C4'-P energy: -48.572 tors. eta vs tors. theta energy: -99.536 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: 147 Temperature: 0.950000 Total energy: -1164.849066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.849066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.849066 (E_RNA) where: Base-Base interactions energy: -832.450 where: short stacking energy: -319.756 Base-Backbone interact. energy: -1.208 local terms energy: -331.191840 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -48.848 flat angles C4'-P-C4' energy: -68.746 flat angles P-C4'-P energy: -47.817 tors. eta vs tors. theta energy: -102.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1061.648845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.648845 (E_RNA) where: Base-Base interactions energy: -735.219 where: short stacking energy: -300.596 Base-Backbone interact. energy: -1.803 local terms energy: -324.626904 where: bonds (distance) C4'-P energy: -59.416 bonds (distance) P-C4' energy: -69.202 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -40.512 tors. eta vs tors. theta energy: -91.623 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: 147 Temperature: 1.050000 Total energy: -1030.421024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.421024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.421024 (E_RNA) where: Base-Base interactions energy: -690.399 where: short stacking energy: -291.134 Base-Backbone interact. energy: -2.788 local terms energy: -337.234881 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -47.932 tors. eta vs tors. theta energy: -90.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -994.514700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.514700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.514700 (E_RNA) where: Base-Base interactions energy: -677.263 where: short stacking energy: -283.724 Base-Backbone interact. energy: -1.845 local terms energy: -315.406628 where: bonds (distance) C4'-P energy: -54.845 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -36.469 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: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -956.403163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.403163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.403163 (E_RNA) where: Base-Base interactions energy: -652.734 where: short stacking energy: -255.876 Base-Backbone interact. energy: -0.755 local terms energy: -302.913748 where: bonds (distance) C4'-P energy: -48.997 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -53.555 tors. eta vs tors. theta energy: -75.162 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: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -677.212837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.212837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.212837 (E_RNA) where: Base-Base interactions energy: -441.609 where: short stacking energy: -203.487 Base-Backbone interact. energy: -1.127 local terms energy: -234.477315 where: bonds (distance) C4'-P energy: -49.240 bonds (distance) P-C4' energy: -50.955 flat angles C4'-P-C4' energy: -58.787 flat angles P-C4'-P energy: -43.036 tors. eta vs tors. theta energy: -32.459 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: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -632.480413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.480413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.480413 (E_RNA) where: Base-Base interactions energy: -421.521 where: short stacking energy: -211.418 Base-Backbone interact. energy: -0.350 local terms energy: -210.610055 where: bonds (distance) C4'-P energy: -39.808 bonds (distance) P-C4' energy: -53.429 flat angles C4'-P-C4' energy: -45.265 flat angles P-C4'-P energy: -27.372 tors. eta vs tors. theta energy: -44.737 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: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -473.412237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.412237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.412237 (E_RNA) where: Base-Base interactions energy: -263.589 where: short stacking energy: -132.617 Base-Backbone interact. energy: -0.982 local terms energy: -208.840914 where: bonds (distance) C4'-P energy: -43.104 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -53.549 flat angles P-C4'-P energy: -33.918 tors. eta vs tors. theta energy: -19.289 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -259.121379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.121379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.121379 (E_RNA) where: Base-Base interactions energy: -101.046 where: short stacking energy: -78.630 Base-Backbone interact. energy: -1.974 local terms energy: -156.101843 where: bonds (distance) C4'-P energy: -47.532 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -41.295 flat angles P-C4'-P energy: -14.775 tors. eta vs tors. theta energy: 5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1209.992029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.992029 (E_RNA) where: Base-Base interactions energy: -846.255 where: short stacking energy: -335.105 Base-Backbone interact. energy: -1.907 local terms energy: -361.829980 where: bonds (distance) C4'-P energy: -66.422 bonds (distance) P-C4' energy: -75.471 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -98.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1167.379451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.379451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.379451 (E_RNA) where: Base-Base interactions energy: -813.326 where: short stacking energy: -336.176 Base-Backbone interact. energy: -0.883 local terms energy: -353.170093 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -71.403 flat angles C4'-P-C4' energy: -80.389 flat angles P-C4'-P energy: -38.734 tors. eta vs tors. theta energy: -102.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1091.008013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.008013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.008013 (E_RNA) where: Base-Base interactions energy: -742.468 where: short stacking energy: -310.409 Base-Backbone interact. energy: -1.034 local terms energy: -347.506267 where: bonds (distance) C4'-P energy: -64.604 bonds (distance) P-C4' energy: -66.535 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -90.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1033.617028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.617028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.617028 (E_RNA) where: Base-Base interactions energy: -717.037 where: short stacking energy: -275.243 Base-Backbone interact. energy: -2.261 local terms energy: -314.318459 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -54.921 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -80.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1002.788489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.788489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.788489 (E_RNA) where: Base-Base interactions energy: -676.726 where: short stacking energy: -268.737 Base-Backbone interact. energy: -2.583 local terms energy: -323.479661 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -60.830 flat angles C4'-P-C4' energy: -67.567 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: -82.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -926.540181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.540181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.540181 (E_RNA) where: Base-Base interactions energy: -627.671 where: short stacking energy: -274.275 Base-Backbone interact. energy: -2.242 local terms energy: -296.627122 where: bonds (distance) C4'-P energy: -58.196 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -31.529 tors. eta vs tors. theta energy: -78.078 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: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -673.493120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.493120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.493120 (E_RNA) where: Base-Base interactions energy: -414.648 where: short stacking energy: -178.533 Base-Backbone interact. energy: -2.129 local terms energy: -256.716498 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -49.589 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -37.996 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: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -650.026482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.026482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.026482 (E_RNA) where: Base-Base interactions energy: -414.717 where: short stacking energy: -162.842 Base-Backbone interact. energy: -2.281 local terms energy: -233.028298 where: bonds (distance) C4'-P energy: -52.177 bonds (distance) P-C4' energy: -65.436 flat angles C4'-P-C4' energy: -55.330 flat angles P-C4'-P energy: -38.288 tors. eta vs tors. theta energy: -21.797 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: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -471.685391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.685391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.685391 (E_RNA) where: Base-Base interactions energy: -271.892 where: short stacking energy: -131.528 Base-Backbone interact. energy: -1.046 local terms energy: -198.747395 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -51.615 flat angles C4'-P-C4' energy: -52.774 flat angles P-C4'-P energy: -31.136 tors. eta vs tors. theta energy: -7.356 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: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -278.955740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.955740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.955740 (E_RNA) where: Base-Base interactions energy: -103.376 where: short stacking energy: -96.358 Base-Backbone interact. energy: -0.722 local terms energy: -174.858497 where: bonds (distance) C4'-P energy: -44.420 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -35.840 flat angles P-C4'-P energy: -23.020 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1207.829140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.829140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.829140 (E_RNA) where: Base-Base interactions energy: -852.818 where: short stacking energy: -336.362 Base-Backbone interact. energy: 0.992 local terms energy: -356.002754 where: bonds (distance) C4'-P energy: -61.712 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -103.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1156.542935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.542935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.542935 (E_RNA) where: Base-Base interactions energy: -816.901 where: short stacking energy: -309.316 Base-Backbone interact. energy: -0.818 local terms energy: -338.823938 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -63.501 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: -100.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1105.413451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.413451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.413451 (E_RNA) where: Base-Base interactions energy: -774.985 where: short stacking energy: -315.489 Base-Backbone interact. energy: -0.779 local terms energy: -329.649329 where: bonds (distance) C4'-P energy: -62.362 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -51.399 tors. eta vs tors. theta energy: -90.404 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: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1005.212803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.212803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.212803 (E_RNA) where: Base-Base interactions energy: -676.626 where: short stacking energy: -259.397 Base-Backbone interact. energy: -3.496 local terms energy: -325.090600 where: bonds (distance) C4'-P energy: -63.368 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -68.709 flat angles P-C4'-P energy: -43.351 tors. eta vs tors. theta energy: -87.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -997.150977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.150977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.150977 (E_RNA) where: Base-Base interactions energy: -688.705 where: short stacking energy: -292.003 Base-Backbone interact. energy: -0.102 local terms energy: -308.344170 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -53.612 flat angles C4'-P-C4' energy: -58.889 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -91.479 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: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -941.860254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.860254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.860254 (E_RNA) where: Base-Base interactions energy: -643.542 where: short stacking energy: -263.245 Base-Backbone interact. energy: 0.580 local terms energy: -298.898276 where: bonds (distance) C4'-P energy: -43.915 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -72.636 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -75.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -721.265276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.265276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.265276 (E_RNA) where: Base-Base interactions energy: -461.268 where: short stacking energy: -212.204 Base-Backbone interact. energy: -1.340 local terms energy: -258.656966 where: bonds (distance) C4'-P energy: -61.608 bonds (distance) P-C4' energy: -52.029 flat angles C4'-P-C4' energy: -66.269 flat angles P-C4'-P energy: -36.807 tors. eta vs tors. theta energy: -41.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -691.159288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.159288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.159288 (E_RNA) where: Base-Base interactions energy: -448.255 where: short stacking energy: -204.850 Base-Backbone interact. energy: -0.995 local terms energy: -241.909407 where: bonds (distance) C4'-P energy: -55.318 bonds (distance) P-C4' energy: -54.832 flat angles C4'-P-C4' energy: -51.144 flat angles P-C4'-P energy: -38.368 tors. eta vs tors. theta energy: -42.248 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: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -469.404103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.404103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.404103 (E_RNA) where: Base-Base interactions energy: -256.059 where: short stacking energy: -139.315 Base-Backbone interact. energy: 0.656 local terms energy: -214.000871 where: bonds (distance) C4'-P energy: -58.655 bonds (distance) P-C4' energy: -57.484 flat angles C4'-P-C4' energy: -63.130 flat angles P-C4'-P energy: -26.500 tors. eta vs tors. theta energy: -8.232 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: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -270.900087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.900087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.900087 (E_RNA) where: Base-Base interactions energy: -103.245 where: short stacking energy: -81.067 Base-Backbone interact. energy: -1.575 local terms energy: -166.079409 where: bonds (distance) C4'-P energy: -48.284 bonds (distance) P-C4' energy: -53.401 flat angles C4'-P-C4' energy: -50.883 flat angles P-C4'-P energy: -25.001 tors. eta vs tors. theta energy: 11.490 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: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1202.592181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.592181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.592181 (E_RNA) where: Base-Base interactions energy: -846.317 where: short stacking energy: -338.902 Base-Backbone interact. energy: -1.433 local terms energy: -354.841775 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -96.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1159.666877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.666877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.666877 (E_RNA) where: Base-Base interactions energy: -806.009 where: short stacking energy: -332.469 Base-Backbone interact. energy: -1.935 local terms energy: -351.722864 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -76.925 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: -100.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1116.970506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.970506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.970506 (E_RNA) where: Base-Base interactions energy: -790.592 where: short stacking energy: -316.847 Base-Backbone interact. energy: -3.054 local terms energy: -323.324620 where: bonds (distance) C4'-P energy: -57.931 bonds (distance) P-C4' energy: -60.924 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -51.433 tors. eta vs tors. theta energy: -85.028 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: 150 Temperature: 1.050000 Total energy: -981.957179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.957179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.957179 (E_RNA) where: Base-Base interactions energy: -672.581 where: short stacking energy: -286.322 Base-Backbone interact. energy: -0.971 local terms energy: -308.405115 where: bonds (distance) C4'-P energy: -57.062 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: -76.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1004.750383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.750383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.750383 (E_RNA) where: Base-Base interactions energy: -679.266 where: short stacking energy: -277.372 Base-Backbone interact. energy: -0.614 local terms energy: -324.870310 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -53.274 tors. eta vs tors. theta energy: -78.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -944.065256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.065256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.065256 (E_RNA) where: Base-Base interactions energy: -659.149 where: short stacking energy: -277.097 Base-Backbone interact. energy: -2.322 local terms energy: -282.594482 where: bonds (distance) C4'-P energy: -53.060 bonds (distance) P-C4' energy: -57.261 flat angles C4'-P-C4' energy: -49.146 flat angles P-C4'-P energy: -42.729 tors. eta vs tors. theta energy: -80.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -713.537913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.537913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.537913 (E_RNA) where: Base-Base interactions energy: -468.796 where: short stacking energy: -227.240 Base-Backbone interact. energy: -1.110 local terms energy: -243.632563 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -51.043 flat angles P-C4'-P energy: -30.090 tors. eta vs tors. theta energy: -50.409 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: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -697.952950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.952950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.952950 (E_RNA) where: Base-Base interactions energy: -455.911 where: short stacking energy: -202.464 Base-Backbone interact. energy: -2.462 local terms energy: -239.579457 where: bonds (distance) C4'-P energy: -50.600 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -57.622 flat angles P-C4'-P energy: -30.380 tors. eta vs tors. theta energy: -40.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -495.953807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.953807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.953807 (E_RNA) where: Base-Base interactions energy: -281.054 where: short stacking energy: -137.716 Base-Backbone interact. energy: 0.973 local terms energy: -215.873440 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -50.890 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -36.532 tors. eta vs tors. theta energy: -14.491 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: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -279.158790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.158790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.158790 (E_RNA) where: Base-Base interactions energy: -93.779 where: short stacking energy: -73.058 Base-Backbone interact. energy: 1.206 local terms energy: -186.586691 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -50.921 flat angles C4'-P-C4' energy: -54.347 flat angles P-C4'-P energy: -30.319 tors. eta vs tors. theta energy: 0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1190.217349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.217349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.217349 (E_RNA) where: Base-Base interactions energy: -835.835 where: short stacking energy: -329.075 Base-Backbone interact. energy: -1.269 local terms energy: -353.113155 where: bonds (distance) C4'-P energy: -62.701 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -72.535 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: -98.019 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: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1151.387573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.387573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.387573 (E_RNA) where: Base-Base interactions energy: -815.666 where: short stacking energy: -318.420 Base-Backbone interact. energy: -1.229 local terms energy: -334.492296 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -55.520 flat angles C4'-P-C4' energy: -66.746 flat angles P-C4'-P energy: -46.158 tors. eta vs tors. theta energy: -100.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1118.765615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.765615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.765615 (E_RNA) where: Base-Base interactions energy: -772.309 where: short stacking energy: -314.509 Base-Backbone interact. energy: -1.883 local terms energy: -344.573646 where: bonds (distance) C4'-P energy: -63.153 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -95.179 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: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1027.045578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.045578 (E_RNA) where: Base-Base interactions energy: -722.707 where: short stacking energy: -293.016 Base-Backbone interact. energy: -4.054 local terms energy: -300.284574 where: bonds (distance) C4'-P energy: -38.053 bonds (distance) P-C4' energy: -56.913 flat angles C4'-P-C4' energy: -61.856 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -92.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -961.965468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.965468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.965468 (E_RNA) where: Base-Base interactions energy: -670.086 where: short stacking energy: -253.161 Base-Backbone interact. energy: -3.129 local terms energy: -288.750429 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -59.061 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -33.154 tors. eta vs tors. theta energy: -63.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -927.291532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.291532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.291532 (E_RNA) where: Base-Base interactions energy: -633.656 where: short stacking energy: -254.101 Base-Backbone interact. energy: -1.120 local terms energy: -292.515600 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -41.176 tors. eta vs tors. theta energy: -69.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -700.408401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.408401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.408401 (E_RNA) where: Base-Base interactions energy: -443.236 where: short stacking energy: -206.334 Base-Backbone interact. energy: -0.525 local terms energy: -256.646696 where: bonds (distance) C4'-P energy: -54.760 bonds (distance) P-C4' energy: -52.793 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -34.105 tors. eta vs tors. theta energy: -51.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -718.895079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.895079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.895079 (E_RNA) where: Base-Base interactions energy: -486.818 where: short stacking energy: -200.602 Base-Backbone interact. energy: -1.651 local terms energy: -230.425623 where: bonds (distance) C4'-P energy: -54.739 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -45.887 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: -32.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -481.682126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.682126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.682126 (E_RNA) where: Base-Base interactions energy: -269.826 where: short stacking energy: -146.445 Base-Backbone interact. energy: 0.550 local terms energy: -212.405445 where: bonds (distance) C4'-P energy: -46.545 bonds (distance) P-C4' energy: -64.354 flat angles C4'-P-C4' energy: -48.775 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -19.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -285.619451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.619451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.619451 (E_RNA) where: Base-Base interactions energy: -90.296 where: short stacking energy: -69.054 Base-Backbone interact. energy: -1.748 local terms energy: -193.575967 where: bonds (distance) C4'-P energy: -67.124 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -44.004 flat angles P-C4'-P energy: -38.276 tors. eta vs tors. theta energy: 12.955 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: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1191.501792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.501792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.501792 (E_RNA) where: Base-Base interactions energy: -838.932 where: short stacking energy: -313.656 Base-Backbone interact. energy: -1.336 local terms energy: -351.233796 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -79.368 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -94.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1158.801523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.801523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.801523 (E_RNA) where: Base-Base interactions energy: -807.528 where: short stacking energy: -316.040 Base-Backbone interact. energy: -2.565 local terms energy: -348.708071 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -69.344 flat angles C4'-P-C4' energy: -68.790 flat angles P-C4'-P energy: -46.497 tors. eta vs tors. theta energy: -101.793 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: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1126.382926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.382926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.382926 (E_RNA) where: Base-Base interactions energy: -759.937 where: short stacking energy: -322.551 Base-Backbone interact. energy: -2.447 local terms energy: -363.998091 where: bonds (distance) C4'-P energy: -72.823 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -55.298 tors. eta vs tors. theta energy: -100.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1036.781006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.781006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.781006 (E_RNA) where: Base-Base interactions energy: -709.089 where: short stacking energy: -287.521 Base-Backbone interact. energy: -1.725 local terms energy: -325.966998 where: bonds (distance) C4'-P energy: -64.952 bonds (distance) P-C4' energy: -63.299 flat angles C4'-P-C4' energy: -70.972 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -81.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -992.850561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.850561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.850561 (E_RNA) where: Base-Base interactions energy: -696.256 where: short stacking energy: -271.500 Base-Backbone interact. energy: -1.642 local terms energy: -294.952027 where: bonds (distance) C4'-P energy: -54.696 bonds (distance) P-C4' energy: -59.879 flat angles C4'-P-C4' energy: -57.835 flat angles P-C4'-P energy: -41.363 tors. eta vs tors. theta energy: -81.179 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -942.403461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.403461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.403461 (E_RNA) where: Base-Base interactions energy: -656.899 where: short stacking energy: -268.994 Base-Backbone interact. energy: -0.398 local terms energy: -285.106681 where: bonds (distance) C4'-P energy: -40.645 bonds (distance) P-C4' energy: -54.667 flat angles C4'-P-C4' energy: -63.481 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -76.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -674.886945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.886945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.886945 (E_RNA) where: Base-Base interactions energy: -434.196 where: short stacking energy: -212.769 Base-Backbone interact. energy: -1.774 local terms energy: -238.916641 where: bonds (distance) C4'-P energy: -46.699 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -49.716 flat angles P-C4'-P energy: -39.149 tors. eta vs tors. theta energy: -45.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -688.297133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.297133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.297133 (E_RNA) where: Base-Base interactions energy: -446.950 where: short stacking energy: -200.611 Base-Backbone interact. energy: 4.733 local terms energy: -246.080022 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -53.906 flat angles C4'-P-C4' energy: -61.629 flat angles P-C4'-P energy: -35.722 tors. eta vs tors. theta energy: -36.617 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: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -466.053976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.053976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.053976 (E_RNA) where: Base-Base interactions energy: -256.167 where: short stacking energy: -120.633 Base-Backbone interact. energy: 0.366 local terms energy: -210.252986 where: bonds (distance) C4'-P energy: -53.035 bonds (distance) P-C4' energy: -67.969 flat angles C4'-P-C4' energy: -54.810 flat angles P-C4'-P energy: -30.340 tors. eta vs tors. theta energy: -4.098 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: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -274.794339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.794339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.794339 (E_RNA) where: Base-Base interactions energy: -96.758 where: short stacking energy: -79.385 Base-Backbone interact. energy: -1.131 local terms energy: -176.904980 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -58.884 flat angles C4'-P-C4' energy: -40.182 flat angles P-C4'-P energy: -25.102 tors. eta vs tors. theta energy: 3.447 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: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1194.775010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.775010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.775010 (E_RNA) where: Base-Base interactions energy: -848.198 where: short stacking energy: -333.387 Base-Backbone interact. energy: -1.380 local terms energy: -345.196922 where: bonds (distance) C4'-P energy: -64.350 bonds (distance) P-C4' energy: -63.267 flat angles C4'-P-C4' energy: -64.871 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: -100.899 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: 153 Temperature: 0.950000 Total energy: -1128.490727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.490727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.490727 (E_RNA) where: Base-Base interactions energy: -772.253 where: short stacking energy: -307.665 Base-Backbone interact. energy: -1.085 local terms energy: -355.153142 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -76.629 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: -99.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1124.179810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.179810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.179810 (E_RNA) where: Base-Base interactions energy: -792.198 where: short stacking energy: -311.749 Base-Backbone interact. energy: -0.898 local terms energy: -331.083317 where: bonds (distance) C4'-P energy: -71.653 bonds (distance) P-C4' energy: -56.583 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: -92.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1030.877722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.877722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.877722 (E_RNA) where: Base-Base interactions energy: -731.183 where: short stacking energy: -276.268 Base-Backbone interact. energy: 1.530 local terms energy: -301.224567 where: bonds (distance) C4'-P energy: -55.258 bonds (distance) P-C4' energy: -58.079 flat angles C4'-P-C4' energy: -65.609 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -74.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1007.154395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.154395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.154395 (E_RNA) where: Base-Base interactions energy: -699.362 where: short stacking energy: -278.059 Base-Backbone interact. energy: -1.439 local terms energy: -306.353431 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -66.027 flat angles P-C4'-P energy: -38.782 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -946.794173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.794173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.794173 (E_RNA) where: Base-Base interactions energy: -655.961 where: short stacking energy: -271.268 Base-Backbone interact. energy: -1.642 local terms energy: -289.191678 where: bonds (distance) C4'-P energy: -46.829 bonds (distance) P-C4' energy: -61.071 flat angles C4'-P-C4' energy: -68.546 flat angles P-C4'-P energy: -33.337 tors. eta vs tors. theta energy: -79.408 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: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -701.508385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.508385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.508385 (E_RNA) where: Base-Base interactions energy: -457.799 where: short stacking energy: -218.090 Base-Backbone interact. energy: -0.348 local terms energy: -243.361635 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -61.154 flat angles C4'-P-C4' energy: -59.460 flat angles P-C4'-P energy: -28.502 tors. eta vs tors. theta energy: -43.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -701.207988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.207988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.207988 (E_RNA) where: Base-Base interactions energy: -453.450 where: short stacking energy: -189.744 Base-Backbone interact. energy: -0.431 local terms energy: -247.327290 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -58.831 flat angles C4'-P-C4' energy: -56.428 flat angles P-C4'-P energy: -30.634 tors. eta vs tors. theta energy: -43.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -382.683944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.683944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.683944 (E_RNA) where: Base-Base interactions energy: -200.390 where: short stacking energy: -99.201 Base-Backbone interact. energy: -2.944 local terms energy: -179.350043 where: bonds (distance) C4'-P energy: -59.399 bonds (distance) P-C4' energy: -60.769 flat angles C4'-P-C4' energy: -36.099 flat angles P-C4'-P energy: -31.470 tors. eta vs tors. theta energy: 8.388 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: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -284.294110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.294110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.294110 (E_RNA) where: Base-Base interactions energy: -110.468 where: short stacking energy: -95.935 Base-Backbone interact. energy: 1.007 local terms energy: -174.832682 where: bonds (distance) C4'-P energy: -57.238 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -43.678 flat angles P-C4'-P energy: -20.781 tors. eta vs tors. theta energy: 2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1203.471295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.471295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.471295 (E_RNA) where: Base-Base interactions energy: -866.804 where: short stacking energy: -334.632 Base-Backbone interact. energy: -0.389 local terms energy: -336.278394 where: bonds (distance) C4'-P energy: -54.674 bonds (distance) P-C4' energy: -65.145 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -47.142 tors. eta vs tors. theta energy: -95.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1144.822560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.822560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.822560 (E_RNA) where: Base-Base interactions energy: -778.540 where: short stacking energy: -321.123 Base-Backbone interact. energy: -0.091 local terms energy: -366.191233 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -105.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1112.451271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.451271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.451271 (E_RNA) where: Base-Base interactions energy: -763.741 where: short stacking energy: -299.273 Base-Backbone interact. energy: -1.000 local terms energy: -347.710181 where: bonds (distance) C4'-P energy: -66.628 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -74.738 flat angles P-C4'-P energy: -44.434 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: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1043.162639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.162639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.162639 (E_RNA) where: Base-Base interactions energy: -708.961 where: short stacking energy: -285.572 Base-Backbone interact. energy: -1.340 local terms energy: -332.862401 where: bonds (distance) C4'-P energy: -74.377 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -70.477 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -80.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1000.684625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.684625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.684625 (E_RNA) where: Base-Base interactions energy: -684.705 where: short stacking energy: -263.709 Base-Backbone interact. energy: -0.535 local terms energy: -315.444608 where: bonds (distance) C4'-P energy: -67.628 bonds (distance) P-C4' energy: -61.106 flat angles C4'-P-C4' energy: -73.277 flat angles P-C4'-P energy: -28.972 tors. eta vs tors. theta energy: -84.461 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: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -925.526119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.526119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.526119 (E_RNA) where: Base-Base interactions energy: -633.724 where: short stacking energy: -255.235 Base-Backbone interact. energy: 0.068 local terms energy: -291.869561 where: bonds (distance) C4'-P energy: -60.898 bonds (distance) P-C4' energy: -44.701 flat angles C4'-P-C4' energy: -60.285 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -79.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -700.825486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.825486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.825486 (E_RNA) where: Base-Base interactions energy: -468.937 where: short stacking energy: -209.208 Base-Backbone interact. energy: -0.871 local terms energy: -231.016872 where: bonds (distance) C4'-P energy: -52.715 bonds (distance) P-C4' energy: -43.287 flat angles C4'-P-C4' energy: -53.367 flat angles P-C4'-P energy: -32.884 tors. eta vs tors. theta energy: -48.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -704.635202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.635202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.635202 (E_RNA) where: Base-Base interactions energy: -461.198 where: short stacking energy: -187.585 Base-Backbone interact. energy: 1.993 local terms energy: -245.430448 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -45.471 flat angles C4'-P-C4' energy: -51.750 flat angles P-C4'-P energy: -33.086 tors. eta vs tors. theta energy: -46.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -408.220445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.220445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.220445 (E_RNA) where: Base-Base interactions energy: -196.080 where: short stacking energy: -109.511 Base-Backbone interact. energy: 3.681 local terms energy: -215.821440 where: bonds (distance) C4'-P energy: -50.597 bonds (distance) P-C4' energy: -60.482 flat angles C4'-P-C4' energy: -53.381 flat angles P-C4'-P energy: -36.731 tors. eta vs tors. theta energy: -14.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -266.751545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.751545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.751545 (E_RNA) where: Base-Base interactions energy: -104.216 where: short stacking energy: -66.332 Base-Backbone interact. energy: -1.412 local terms energy: -161.123268 where: bonds (distance) C4'-P energy: -46.470 bonds (distance) P-C4' energy: -58.449 flat angles C4'-P-C4' energy: -36.986 flat angles P-C4'-P energy: -28.797 tors. eta vs tors. theta energy: 9.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1201.854441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.854441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.854441 (E_RNA) where: Base-Base interactions energy: -836.211 where: short stacking energy: -341.407 Base-Backbone interact. energy: 1.338 local terms energy: -366.981751 where: bonds (distance) C4'-P energy: -73.584 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -70.639 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -105.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1145.446781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.446781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.446781 (E_RNA) where: Base-Base interactions energy: -790.103 where: short stacking energy: -337.898 Base-Backbone interact. energy: -2.263 local terms energy: -353.081140 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -68.784 flat angles C4'-P-C4' energy: -70.215 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -104.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1120.945183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.945183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.945183 (E_RNA) where: Base-Base interactions energy: -768.920 where: short stacking energy: -288.942 Base-Backbone interact. energy: -1.186 local terms energy: -350.839254 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -71.591 flat angles P-C4'-P energy: -50.762 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: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1038.262708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.262708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.262708 (E_RNA) where: Base-Base interactions energy: -723.392 where: short stacking energy: -293.629 Base-Backbone interact. energy: -2.891 local terms energy: -311.980036 where: bonds (distance) C4'-P energy: -63.102 bonds (distance) P-C4' energy: -59.308 flat angles C4'-P-C4' energy: -67.969 flat angles P-C4'-P energy: -32.919 tors. eta vs tors. theta energy: -88.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1014.498047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.498047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.498047 (E_RNA) where: Base-Base interactions energy: -700.970 where: short stacking energy: -296.739 Base-Backbone interact. energy: 0.158 local terms energy: -313.685913 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -70.192 flat angles P-C4'-P energy: -38.415 tors. eta vs tors. theta energy: -82.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -914.547143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.547143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.547143 (E_RNA) where: Base-Base interactions energy: -635.051 where: short stacking energy: -275.911 Base-Backbone interact. energy: -1.821 local terms energy: -277.675321 where: bonds (distance) C4'-P energy: -50.326 bonds (distance) P-C4' energy: -43.698 flat angles C4'-P-C4' energy: -64.991 flat angles P-C4'-P energy: -38.864 tors. eta vs tors. theta energy: -79.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -733.155188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.155188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.155188 (E_RNA) where: Base-Base interactions energy: -480.570 where: short stacking energy: -204.277 Base-Backbone interact. energy: -0.993 local terms energy: -251.592426 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -59.314 flat angles P-C4'-P energy: -33.733 tors. eta vs tors. theta energy: -41.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -735.985801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.985801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.985801 (E_RNA) where: Base-Base interactions energy: -496.532 where: short stacking energy: -223.276 Base-Backbone interact. energy: -0.860 local terms energy: -238.594123 where: bonds (distance) C4'-P energy: -36.773 bonds (distance) P-C4' energy: -55.561 flat angles C4'-P-C4' energy: -60.659 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: -49.152 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: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -390.085146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.085146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.085146 (E_RNA) where: Base-Base interactions energy: -189.495 where: short stacking energy: -99.170 Base-Backbone interact. energy: -0.160 local terms energy: -200.430037 where: bonds (distance) C4'-P energy: -50.286 bonds (distance) P-C4' energy: -57.594 flat angles C4'-P-C4' energy: -55.756 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: 0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -294.849966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.849966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.849966 (E_RNA) where: Base-Base interactions energy: -125.424 where: short stacking energy: -77.916 Base-Backbone interact. energy: 1.274 local terms energy: -170.700257 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -64.043 flat angles C4'-P-C4' energy: -41.829 flat angles P-C4'-P energy: -25.610 tors. eta vs tors. theta energy: 21.378 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: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1190.984553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.984553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.984553 (E_RNA) where: Base-Base interactions energy: -853.016 where: short stacking energy: -314.619 Base-Backbone interact. energy: -1.553 local terms energy: -336.415420 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -64.627 flat angles C4'-P-C4' energy: -74.497 flat angles P-C4'-P energy: -38.999 tors. eta vs tors. theta energy: -91.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1153.863689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.863689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.863689 (E_RNA) where: Base-Base interactions energy: -792.812 where: short stacking energy: -317.961 Base-Backbone interact. energy: 0.095 local terms energy: -361.146457 where: bonds (distance) C4'-P energy: -66.638 bonds (distance) P-C4' energy: -69.122 flat angles C4'-P-C4' energy: -75.972 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -101.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1122.829594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.829594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.829594 (E_RNA) where: Base-Base interactions energy: -782.060 where: short stacking energy: -326.147 Base-Backbone interact. energy: -0.724 local terms energy: -340.045648 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -54.631 flat angles C4'-P-C4' energy: -74.213 flat angles P-C4'-P energy: -53.588 tors. eta vs tors. theta energy: -93.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1070.380059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.380059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.380059 (E_RNA) where: Base-Base interactions energy: -733.524 where: short stacking energy: -297.835 Base-Backbone interact. energy: 2.035 local terms energy: -338.890850 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -64.699 flat angles C4'-P-C4' energy: -70.992 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -93.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -999.054982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.054982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.054982 (E_RNA) where: Base-Base interactions energy: -705.542 where: short stacking energy: -285.959 Base-Backbone interact. energy: 0.491 local terms energy: -294.003986 where: bonds (distance) C4'-P energy: -51.231 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -54.691 flat angles P-C4'-P energy: -46.035 tors. eta vs tors. theta energy: -81.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -890.747086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.747086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.747086 (E_RNA) where: Base-Base interactions energy: -609.097 where: short stacking energy: -262.862 Base-Backbone interact. energy: -0.873 local terms energy: -280.777152 where: bonds (distance) C4'-P energy: -58.934 bonds (distance) P-C4' energy: -55.775 flat angles C4'-P-C4' energy: -61.611 flat angles P-C4'-P energy: -34.889 tors. eta vs tors. theta energy: -69.568 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: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -762.819576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.819576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.819576 (E_RNA) where: Base-Base interactions energy: -497.204 where: short stacking energy: -231.237 Base-Backbone interact. energy: -0.706 local terms energy: -264.909840 where: bonds (distance) C4'-P energy: -54.029 bonds (distance) P-C4' energy: -52.852 flat angles C4'-P-C4' energy: -60.585 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -52.495 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: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -722.404803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.404803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.404803 (E_RNA) where: Base-Base interactions energy: -498.758 where: short stacking energy: -185.457 Base-Backbone interact. energy: -0.656 local terms energy: -222.991421 where: bonds (distance) C4'-P energy: -52.469 bonds (distance) P-C4' energy: -44.273 flat angles C4'-P-C4' energy: -51.654 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -33.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -405.141967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.141967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.141967 (E_RNA) where: Base-Base interactions energy: -199.370 where: short stacking energy: -108.862 Base-Backbone interact. energy: -0.762 local terms energy: -205.009533 where: bonds (distance) C4'-P energy: -54.845 bonds (distance) P-C4' energy: -51.826 flat angles C4'-P-C4' energy: -54.858 flat angles P-C4'-P energy: -37.101 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -305.128651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.128651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.128651 (E_RNA) where: Base-Base interactions energy: -123.954 where: short stacking energy: -87.448 Base-Backbone interact. energy: -0.264 local terms energy: -180.909879 where: bonds (distance) C4'-P energy: -57.917 bonds (distance) P-C4' energy: -58.947 flat angles C4'-P-C4' energy: -42.256 flat angles P-C4'-P energy: -22.225 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1201.460535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.460535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.460535 (E_RNA) where: Base-Base interactions energy: -858.894 where: short stacking energy: -326.325 Base-Backbone interact. energy: -3.246 local terms energy: -339.320304 where: bonds (distance) C4'-P energy: -60.234 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -73.695 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -89.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1144.027007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.027007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.027007 (E_RNA) where: Base-Base interactions energy: -786.885 where: short stacking energy: -299.688 Base-Backbone interact. energy: -2.079 local terms energy: -355.062611 where: bonds (distance) C4'-P energy: -68.515 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -78.752 flat angles P-C4'-P energy: -50.551 tors. eta vs tors. theta energy: -96.678 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: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1141.960825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.960825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.960825 (E_RNA) where: Base-Base interactions energy: -800.498 where: short stacking energy: -334.071 Base-Backbone interact. energy: -0.053 local terms energy: -341.409891 where: bonds (distance) C4'-P energy: -59.702 bonds (distance) P-C4' energy: -59.013 flat angles C4'-P-C4' energy: -78.702 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -103.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1040.275746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.275746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.275746 (E_RNA) where: Base-Base interactions energy: -711.549 where: short stacking energy: -295.058 Base-Backbone interact. energy: -3.209 local terms energy: -325.517738 where: bonds (distance) C4'-P energy: -56.014 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -67.883 flat angles P-C4'-P energy: -49.093 tors. eta vs tors. theta energy: -81.931 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -985.717521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.717521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.717521 (E_RNA) where: Base-Base interactions energy: -681.083 where: short stacking energy: -269.732 Base-Backbone interact. energy: -1.797 local terms energy: -302.837844 where: bonds (distance) C4'-P energy: -50.073 bonds (distance) P-C4' energy: -67.419 flat angles C4'-P-C4' energy: -60.341 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -80.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -848.428716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.428716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.428716 (E_RNA) where: Base-Base interactions energy: -580.248 where: short stacking energy: -244.496 Base-Backbone interact. energy: 0.162 local terms energy: -268.341854 where: bonds (distance) C4'-P energy: -50.946 bonds (distance) P-C4' energy: -54.080 flat angles C4'-P-C4' energy: -69.045 flat angles P-C4'-P energy: -28.698 tors. eta vs tors. theta energy: -65.573 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: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -773.718492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.718492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.718492 (E_RNA) where: Base-Base interactions energy: -520.190 where: short stacking energy: -221.446 Base-Backbone interact. energy: -1.397 local terms energy: -252.131764 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -50.246 flat angles C4'-P-C4' energy: -60.901 flat angles P-C4'-P energy: -28.634 tors. eta vs tors. theta energy: -52.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -745.204765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.204765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.204765 (E_RNA) where: Base-Base interactions energy: -481.232 where: short stacking energy: -210.124 Base-Backbone interact. energy: -1.704 local terms energy: -262.269153 where: bonds (distance) C4'-P energy: -50.043 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -32.376 tors. eta vs tors. theta energy: -51.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -416.410743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.410743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.410743 (E_RNA) where: Base-Base interactions energy: -204.261 where: short stacking energy: -112.372 Base-Backbone interact. energy: 0.372 local terms energy: -212.521342 where: bonds (distance) C4'-P energy: -55.888 bonds (distance) P-C4' energy: -60.793 flat angles C4'-P-C4' energy: -48.808 flat angles P-C4'-P energy: -26.470 tors. eta vs tors. theta energy: -20.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -310.747259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.747259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.747259 (E_RNA) where: Base-Base interactions energy: -147.406 where: short stacking energy: -83.126 Base-Backbone interact. energy: 3.470 local terms energy: -166.812107 where: bonds (distance) C4'-P energy: -52.699 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -49.817 flat angles P-C4'-P energy: -19.775 tors. eta vs tors. theta energy: 10.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1191.868477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.868477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.868477 (E_RNA) where: Base-Base interactions energy: -823.554 where: short stacking energy: -326.939 Base-Backbone interact. energy: -1.591 local terms energy: -366.723545 where: bonds (distance) C4'-P energy: -64.212 bonds (distance) P-C4' energy: -73.534 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -99.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1141.615412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.615412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.615412 (E_RNA) where: Base-Base interactions energy: -798.414 where: short stacking energy: -336.851 Base-Backbone interact. energy: -1.166 local terms energy: -342.035578 where: bonds (distance) C4'-P energy: -66.429 bonds (distance) P-C4' energy: -66.598 flat angles C4'-P-C4' energy: -64.867 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -103.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1121.228489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.228489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.228489 (E_RNA) where: Base-Base interactions energy: -789.055 where: short stacking energy: -311.206 Base-Backbone interact. energy: 0.781 local terms energy: -332.954478 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -89.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1027.973696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.973696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.973696 (E_RNA) where: Base-Base interactions energy: -715.605 where: short stacking energy: -307.373 Base-Backbone interact. energy: -1.606 local terms energy: -310.763040 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: -81.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -983.340935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.340935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.340935 (E_RNA) where: Base-Base interactions energy: -679.132 where: short stacking energy: -273.270 Base-Backbone interact. energy: 2.546 local terms energy: -306.755569 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -48.470 tors. eta vs tors. theta energy: -78.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -881.795843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.795843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.795843 (E_RNA) where: Base-Base interactions energy: -596.967 where: short stacking energy: -262.455 Base-Backbone interact. energy: 0.182 local terms energy: -285.010715 where: bonds (distance) C4'-P energy: -50.760 bonds (distance) P-C4' energy: -48.832 flat angles C4'-P-C4' energy: -69.540 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -75.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -742.197829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.197829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.197829 (E_RNA) where: Base-Base interactions energy: -469.261 where: short stacking energy: -207.431 Base-Backbone interact. energy: -1.211 local terms energy: -271.725649 where: bonds (distance) C4'-P energy: -63.762 bonds (distance) P-C4' energy: -58.481 flat angles C4'-P-C4' energy: -52.149 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -52.707 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: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -789.977769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.977769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.977769 (E_RNA) where: Base-Base interactions energy: -502.186 where: short stacking energy: -198.848 Base-Backbone interact. energy: -2.887 local terms energy: -284.905077 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -60.316 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -40.853 tors. eta vs tors. theta energy: -48.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -401.059229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.059229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.059229 (E_RNA) where: Base-Base interactions energy: -196.521 where: short stacking energy: -108.939 Base-Backbone interact. energy: 0.706 local terms energy: -205.243619 where: bonds (distance) C4'-P energy: -65.070 bonds (distance) P-C4' energy: -54.803 flat angles C4'-P-C4' energy: -50.526 flat angles P-C4'-P energy: -28.703 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -314.712058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.712058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.712058 (E_RNA) where: Base-Base interactions energy: -138.498 where: short stacking energy: -75.843 Base-Backbone interact. energy: -2.231 local terms energy: -173.983141 where: bonds (distance) C4'-P energy: -47.217 bonds (distance) P-C4' energy: -63.598 flat angles C4'-P-C4' energy: -42.833 flat angles P-C4'-P energy: -32.142 tors. eta vs tors. theta energy: 11.808 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: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1186.690455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.690455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.690455 (E_RNA) where: Base-Base interactions energy: -829.855 where: short stacking energy: -312.488 Base-Backbone interact. energy: -1.795 local terms energy: -355.041021 where: bonds (distance) C4'-P energy: -67.866 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -96.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1167.014043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.014043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.014043 (E_RNA) where: Base-Base interactions energy: -824.628 where: short stacking energy: -335.684 Base-Backbone interact. energy: 0.371 local terms energy: -342.756642 where: bonds (distance) C4'-P energy: -50.494 bonds (distance) P-C4' energy: -62.922 flat angles C4'-P-C4' energy: -71.191 flat angles P-C4'-P energy: -52.216 tors. eta vs tors. theta energy: -105.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1113.443133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.443133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.443133 (E_RNA) where: Base-Base interactions energy: -773.533 where: short stacking energy: -312.889 Base-Backbone interact. energy: -1.798 local terms energy: -338.112698 where: bonds (distance) C4'-P energy: -63.780 bonds (distance) P-C4' energy: -61.060 flat angles C4'-P-C4' energy: -70.342 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -96.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1022.238993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.238993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.238993 (E_RNA) where: Base-Base interactions energy: -698.147 where: short stacking energy: -273.420 Base-Backbone interact. energy: -2.000 local terms energy: -322.091732 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -60.761 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -83.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1009.596698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.596698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.596698 (E_RNA) where: Base-Base interactions energy: -689.925 where: short stacking energy: -272.255 Base-Backbone interact. energy: -2.387 local terms energy: -317.284490 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -57.963 flat angles C4'-P-C4' energy: -69.025 flat angles P-C4'-P energy: -41.374 tors. eta vs tors. theta energy: -87.420 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -851.387985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.387985 (E_RNA) where: Base-Base interactions energy: -574.501 where: short stacking energy: -238.568 Base-Backbone interact. energy: -0.262 local terms energy: -276.624497 where: bonds (distance) C4'-P energy: -56.287 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -64.921 flat angles P-C4'-P energy: -28.444 tors. eta vs tors. theta energy: -66.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -732.644125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.644125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.644125 (E_RNA) where: Base-Base interactions energy: -463.205 where: short stacking energy: -189.142 Base-Backbone interact. energy: -3.670 local terms energy: -265.768207 where: bonds (distance) C4'-P energy: -52.717 bonds (distance) P-C4' energy: -67.920 flat angles C4'-P-C4' energy: -60.237 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: -41.561 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: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -772.770861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.770861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.770861 (E_RNA) where: Base-Base interactions energy: -492.455 where: short stacking energy: -220.692 Base-Backbone interact. energy: 1.663 local terms energy: -281.979448 where: bonds (distance) C4'-P energy: -68.341 bonds (distance) P-C4' energy: -63.030 flat angles C4'-P-C4' energy: -54.926 flat angles P-C4'-P energy: -32.274 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: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -419.073702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.073702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.073702 (E_RNA) where: Base-Base interactions energy: -219.876 where: short stacking energy: -128.640 Base-Backbone interact. energy: 1.760 local terms energy: -200.957586 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -50.083 flat angles C4'-P-C4' energy: -47.026 flat angles P-C4'-P energy: -37.636 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -283.814210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.814210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.814210 (E_RNA) where: Base-Base interactions energy: -97.310 where: short stacking energy: -84.793 Base-Backbone interact. energy: -0.660 local terms energy: -185.844149 where: bonds (distance) C4'-P energy: -57.691 bonds (distance) P-C4' energy: -64.901 flat angles C4'-P-C4' energy: -41.320 flat angles P-C4'-P energy: -25.345 tors. eta vs tors. theta energy: 3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1189.342024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.342024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.342024 (E_RNA) where: Base-Base interactions energy: -836.496 where: short stacking energy: -334.795 Base-Backbone interact. energy: -0.303 local terms energy: -352.542485 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -71.681 flat angles P-C4'-P energy: -51.566 tors. eta vs tors. theta energy: -106.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1167.365677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.365677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.365677 (E_RNA) where: Base-Base interactions energy: -840.277 where: short stacking energy: -307.219 Base-Backbone interact. energy: -0.917 local terms energy: -326.172412 where: bonds (distance) C4'-P energy: -59.573 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -45.537 tors. eta vs tors. theta energy: -90.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1103.063273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.063273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.063273 (E_RNA) where: Base-Base interactions energy: -758.247 where: short stacking energy: -301.375 Base-Backbone interact. energy: -1.061 local terms energy: -343.755812 where: bonds (distance) C4'-P energy: -51.771 bonds (distance) P-C4' energy: -57.128 flat angles C4'-P-C4' energy: -73.975 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: -102.454 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: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1046.667943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.667943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.667943 (E_RNA) where: Base-Base interactions energy: -718.734 where: short stacking energy: -293.591 Base-Backbone interact. energy: -0.971 local terms energy: -326.962550 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -73.148 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -87.885 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: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1010.739713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.739713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.739713 (E_RNA) where: Base-Base interactions energy: -684.881 where: short stacking energy: -267.819 Base-Backbone interact. energy: -2.857 local terms energy: -323.002229 where: bonds (distance) C4'-P energy: -60.956 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -42.683 tors. eta vs tors. theta energy: -80.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -849.066145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.066145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.066145 (E_RNA) where: Base-Base interactions energy: -572.300 where: short stacking energy: -242.843 Base-Backbone interact. energy: -0.667 local terms energy: -276.098976 where: bonds (distance) C4'-P energy: -52.216 bonds (distance) P-C4' energy: -53.149 flat angles C4'-P-C4' energy: -67.070 flat angles P-C4'-P energy: -43.236 tors. eta vs tors. theta energy: -60.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -729.405954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.405954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.405954 (E_RNA) where: Base-Base interactions energy: -501.884 where: short stacking energy: -199.597 Base-Backbone interact. energy: -0.942 local terms energy: -226.580171 where: bonds (distance) C4'-P energy: -48.373 bonds (distance) P-C4' energy: -52.873 flat angles C4'-P-C4' energy: -55.623 flat angles P-C4'-P energy: -26.803 tors. eta vs tors. theta energy: -42.907 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: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -675.579575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.579575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.579575 (E_RNA) where: Base-Base interactions energy: -450.478 where: short stacking energy: -194.943 Base-Backbone interact. energy: -1.928 local terms energy: -223.173591 where: bonds (distance) C4'-P energy: -41.291 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -53.589 flat angles P-C4'-P energy: -28.753 tors. eta vs tors. theta energy: -36.669 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: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -467.144065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.144065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.144065 (E_RNA) where: Base-Base interactions energy: -283.207 where: short stacking energy: -149.809 Base-Backbone interact. energy: 1.116 local terms energy: -185.052859 where: bonds (distance) C4'-P energy: -46.266 bonds (distance) P-C4' energy: -61.985 flat angles C4'-P-C4' energy: -40.953 flat angles P-C4'-P energy: -22.409 tors. eta vs tors. theta energy: -13.440 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: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -252.849730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.849730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.849730 (E_RNA) where: Base-Base interactions energy: -95.182 where: short stacking energy: -67.901 Base-Backbone interact. energy: -0.130 local terms energy: -157.537439 where: bonds (distance) C4'-P energy: -52.809 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -32.355 flat angles P-C4'-P energy: -27.097 tors. eta vs tors. theta energy: 14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1185.861440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.861440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.861440 (E_RNA) where: Base-Base interactions energy: -821.064 where: short stacking energy: -328.798 Base-Backbone interact. energy: -1.295 local terms energy: -363.502264 where: bonds (distance) C4'-P energy: -64.348 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -71.247 flat angles P-C4'-P energy: -54.790 tors. eta vs tors. theta energy: -101.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1133.077109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.077109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.077109 (E_RNA) where: Base-Base interactions energy: -795.890 where: short stacking energy: -326.109 Base-Backbone interact. energy: -1.506 local terms energy: -335.680924 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -74.813 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -91.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1136.519956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.519956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.519956 (E_RNA) where: Base-Base interactions energy: -791.723 where: short stacking energy: -298.848 Base-Backbone interact. energy: 0.072 local terms energy: -344.869448 where: bonds (distance) C4'-P energy: -66.156 bonds (distance) P-C4' energy: -65.998 flat angles C4'-P-C4' energy: -74.074 flat angles P-C4'-P energy: -51.250 tors. eta vs tors. theta energy: -87.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1062.407248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.407248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.407248 (E_RNA) where: Base-Base interactions energy: -711.524 where: short stacking energy: -286.887 Base-Backbone interact. energy: -2.810 local terms energy: -348.073079 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -63.318 flat angles P-C4'-P energy: -46.225 tors. eta vs tors. theta energy: -96.487 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: 161 Temperature: 1.100000 Total energy: -1053.016292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.016292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.016292 (E_RNA) where: Base-Base interactions energy: -720.867 where: short stacking energy: -284.407 Base-Backbone interact. energy: 1.897 local terms energy: -334.046237 where: bonds (distance) C4'-P energy: -63.742 bonds (distance) P-C4' energy: -61.953 flat angles C4'-P-C4' energy: -70.438 flat angles P-C4'-P energy: -50.947 tors. eta vs tors. theta energy: -86.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -857.012459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.012459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.012459 (E_RNA) where: Base-Base interactions energy: -576.015 where: short stacking energy: -233.263 Base-Backbone interact. energy: -1.216 local terms energy: -279.781445 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -54.462 flat angles P-C4'-P energy: -38.025 tors. eta vs tors. theta energy: -69.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -745.358539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.358539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.358539 (E_RNA) where: Base-Base interactions energy: -499.337 where: short stacking energy: -220.472 Base-Backbone interact. energy: -0.354 local terms energy: -245.667236 where: bonds (distance) C4'-P energy: -50.046 bonds (distance) P-C4' energy: -57.549 flat angles C4'-P-C4' energy: -60.463 flat angles P-C4'-P energy: -29.460 tors. eta vs tors. theta energy: -48.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -680.396623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.396623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.396623 (E_RNA) where: Base-Base interactions energy: -435.410 where: short stacking energy: -205.777 Base-Backbone interact. energy: -0.953 local terms energy: -244.033678 where: bonds (distance) C4'-P energy: -43.622 bonds (distance) P-C4' energy: -58.008 flat angles C4'-P-C4' energy: -58.051 flat angles P-C4'-P energy: -43.069 tors. eta vs tors. theta energy: -41.284 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: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -469.481809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.481809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.481809 (E_RNA) where: Base-Base interactions energy: -273.116 where: short stacking energy: -141.491 Base-Backbone interact. energy: 1.205 local terms energy: -197.570399 where: bonds (distance) C4'-P energy: -51.473 bonds (distance) P-C4' energy: -51.289 flat angles C4'-P-C4' energy: -49.505 flat angles P-C4'-P energy: -27.282 tors. eta vs tors. theta energy: -18.022 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: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -300.213516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.213516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.213516 (E_RNA) where: Base-Base interactions energy: -99.510 where: short stacking energy: -69.813 Base-Backbone interact. energy: -0.546 local terms energy: -200.157799 where: bonds (distance) C4'-P energy: -46.671 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -63.110 flat angles P-C4'-P energy: -37.139 tors. eta vs tors. theta energy: 3.977 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: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1196.618050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.618050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.618050 (E_RNA) where: Base-Base interactions energy: -836.494 where: short stacking energy: -330.230 Base-Backbone interact. energy: -1.059 local terms energy: -359.065275 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -63.468 flat angles C4'-P-C4' energy: -76.275 flat angles P-C4'-P energy: -49.712 tors. eta vs tors. theta energy: -104.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1127.079882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.079882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.079882 (E_RNA) where: Base-Base interactions energy: -777.842 where: short stacking energy: -303.585 Base-Backbone interact. energy: -1.495 local terms energy: -347.743277 where: bonds (distance) C4'-P energy: -63.468 bonds (distance) P-C4' energy: -67.496 flat angles C4'-P-C4' energy: -68.679 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -93.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1147.788995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.788995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.788995 (E_RNA) where: Base-Base interactions energy: -816.142 where: short stacking energy: -330.625 Base-Backbone interact. energy: 3.700 local terms energy: -335.347312 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -60.343 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -53.085 tors. eta vs tors. theta energy: -94.637 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: 162 Temperature: 1.050000 Total energy: -1063.116546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.116546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.116546 (E_RNA) where: Base-Base interactions energy: -741.115 where: short stacking energy: -303.277 Base-Backbone interact. energy: -1.813 local terms energy: -320.188888 where: bonds (distance) C4'-P energy: -62.673 bonds (distance) P-C4' energy: -55.281 flat angles C4'-P-C4' energy: -65.951 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -94.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1056.235995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.235995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.235995 (E_RNA) where: Base-Base interactions energy: -733.408 where: short stacking energy: -295.056 Base-Backbone interact. energy: -0.192 local terms energy: -322.636609 where: bonds (distance) C4'-P energy: -54.761 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -68.021 flat angles P-C4'-P energy: -51.918 tors. eta vs tors. theta energy: -89.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -866.699635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.699635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.699635 (E_RNA) where: Base-Base interactions energy: -572.448 where: short stacking energy: -245.155 Base-Backbone interact. energy: -1.738 local terms energy: -292.513438 where: bonds (distance) C4'-P energy: -57.640 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -65.985 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -65.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -749.838397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.838397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.838397 (E_RNA) where: Base-Base interactions energy: -508.442 where: short stacking energy: -206.394 Base-Backbone interact. energy: -1.290 local terms energy: -240.106250 where: bonds (distance) C4'-P energy: -51.500 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -51.745 flat angles P-C4'-P energy: -31.912 tors. eta vs tors. theta energy: -42.552 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: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -625.855569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.855569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.855569 (E_RNA) where: Base-Base interactions energy: -397.804 where: short stacking energy: -179.445 Base-Backbone interact. energy: -0.454 local terms energy: -227.597245 where: bonds (distance) C4'-P energy: -42.328 bonds (distance) P-C4' energy: -60.431 flat angles C4'-P-C4' energy: -58.000 flat angles P-C4'-P energy: -34.874 tors. eta vs tors. theta energy: -31.964 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: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -480.475906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.475906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.475906 (E_RNA) where: Base-Base interactions energy: -264.373 where: short stacking energy: -140.431 Base-Backbone interact. energy: -4.566 local terms energy: -211.537187 where: bonds (distance) C4'-P energy: -52.267 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -55.217 flat angles P-C4'-P energy: -22.534 tors. eta vs tors. theta energy: -20.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -272.465633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.465633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.465633 (E_RNA) where: Base-Base interactions energy: -78.025 where: short stacking energy: -64.787 Base-Backbone interact. energy: -0.051 local terms energy: -194.389035 where: bonds (distance) C4'-P energy: -56.328 bonds (distance) P-C4' energy: -57.127 flat angles C4'-P-C4' energy: -57.438 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: 17.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1180.591092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.591092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.591092 (E_RNA) where: Base-Base interactions energy: -832.403 where: short stacking energy: -314.393 Base-Backbone interact. energy: -1.279 local terms energy: -346.908977 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -66.085 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -96.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1150.147690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.147690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.147690 (E_RNA) where: Base-Base interactions energy: -795.480 where: short stacking energy: -332.668 Base-Backbone interact. energy: -1.839 local terms energy: -352.828982 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -59.958 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -101.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1126.448784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.448784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.448784 (E_RNA) where: Base-Base interactions energy: -794.521 where: short stacking energy: -323.454 Base-Backbone interact. energy: 0.720 local terms energy: -332.647521 where: bonds (distance) C4'-P energy: -67.217 bonds (distance) P-C4' energy: -57.764 flat angles C4'-P-C4' energy: -72.949 flat angles P-C4'-P energy: -38.075 tors. eta vs tors. theta energy: -96.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1055.571832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.571832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.571832 (E_RNA) where: Base-Base interactions energy: -738.448 where: short stacking energy: -280.669 Base-Backbone interact. energy: -2.570 local terms energy: -314.553741 where: bonds (distance) C4'-P energy: -50.821 bonds (distance) P-C4' energy: -54.598 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -49.743 tors. eta vs tors. theta energy: -91.621 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: 163 Temperature: 1.100000 Total energy: -1052.421083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.421083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.421083 (E_RNA) where: Base-Base interactions energy: -733.493 where: short stacking energy: -291.433 Base-Backbone interact. energy: 0.153 local terms energy: -319.081192 where: bonds (distance) C4'-P energy: -63.629 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -65.059 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -90.331 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: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -889.261384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.261384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.261384 (E_RNA) where: Base-Base interactions energy: -603.356 where: short stacking energy: -227.406 Base-Backbone interact. energy: -1.992 local terms energy: -283.913126 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -53.116 flat angles C4'-P-C4' energy: -66.695 flat angles P-C4'-P energy: -36.136 tors. eta vs tors. theta energy: -68.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -744.320644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.320644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.320644 (E_RNA) where: Base-Base interactions energy: -474.144 where: short stacking energy: -219.951 Base-Backbone interact. energy: -0.653 local terms energy: -269.523345 where: bonds (distance) C4'-P energy: -48.272 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -62.911 flat angles P-C4'-P energy: -36.633 tors. eta vs tors. theta energy: -59.164 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: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -582.608738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.608738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.608738 (E_RNA) where: Base-Base interactions energy: -346.574 where: short stacking energy: -170.218 Base-Backbone interact. energy: -0.543 local terms energy: -235.492001 where: bonds (distance) C4'-P energy: -52.105 bonds (distance) P-C4' energy: -56.207 flat angles C4'-P-C4' energy: -54.306 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: -36.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -498.406125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.406125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.406125 (E_RNA) where: Base-Base interactions energy: -287.744 where: short stacking energy: -134.076 Base-Backbone interact. energy: 0.255 local terms energy: -210.917126 where: bonds (distance) C4'-P energy: -41.370 bonds (distance) P-C4' energy: -43.138 flat angles C4'-P-C4' energy: -52.942 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -29.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -275.072903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.072903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.072903 (E_RNA) where: Base-Base interactions energy: -101.104 where: short stacking energy: -75.244 Base-Backbone interact. energy: 3.709 local terms energy: -177.678226 where: bonds (distance) C4'-P energy: -57.096 bonds (distance) P-C4' energy: -52.255 flat angles C4'-P-C4' energy: -47.395 flat angles P-C4'-P energy: -26.030 tors. eta vs tors. theta energy: 5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1175.353389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.353389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.353389 (E_RNA) where: Base-Base interactions energy: -807.372 where: short stacking energy: -311.617 Base-Backbone interact. energy: -1.990 local terms energy: -365.991981 where: bonds (distance) C4'-P energy: -64.172 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -81.848 flat angles P-C4'-P energy: -51.200 tors. eta vs tors. theta energy: -99.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1149.815390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.815390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.815390 (E_RNA) where: Base-Base interactions energy: -797.559 where: short stacking energy: -331.628 Base-Backbone interact. energy: -3.396 local terms energy: -348.860690 where: bonds (distance) C4'-P energy: -66.677 bonds (distance) P-C4' energy: -57.338 flat angles C4'-P-C4' energy: -72.524 flat angles P-C4'-P energy: -48.098 tors. eta vs tors. theta energy: -104.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1102.609718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.609718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.609718 (E_RNA) where: Base-Base interactions energy: -768.915 where: short stacking energy: -304.348 Base-Backbone interact. energy: -1.823 local terms energy: -331.871090 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -92.477 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: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1116.515633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.515633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.515633 (E_RNA) where: Base-Base interactions energy: -793.361 where: short stacking energy: -307.315 Base-Backbone interact. energy: 0.918 local terms energy: -324.073135 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -60.572 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -90.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1027.458523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.458523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.458523 (E_RNA) where: Base-Base interactions energy: -722.611 where: short stacking energy: -296.101 Base-Backbone interact. energy: -1.548 local terms energy: -303.300074 where: bonds (distance) C4'-P energy: -56.140 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -62.465 flat angles P-C4'-P energy: -42.528 tors. eta vs tors. theta energy: -87.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -944.438609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.438609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.438609 (E_RNA) where: Base-Base interactions energy: -648.997 where: short stacking energy: -266.635 Base-Backbone interact. energy: 1.158 local terms energy: -296.599861 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -51.939 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -72.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -736.915931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.915931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.915931 (E_RNA) where: Base-Base interactions energy: -486.348 where: short stacking energy: -217.989 Base-Backbone interact. energy: -0.680 local terms energy: -249.887149 where: bonds (distance) C4'-P energy: -50.749 bonds (distance) P-C4' energy: -46.339 flat angles C4'-P-C4' energy: -60.914 flat angles P-C4'-P energy: -34.011 tors. eta vs tors. theta energy: -57.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -622.418900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.418900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.418900 (E_RNA) where: Base-Base interactions energy: -390.361 where: short stacking energy: -175.332 Base-Backbone interact. energy: -0.040 local terms energy: -232.018050 where: bonds (distance) C4'-P energy: -54.920 bonds (distance) P-C4' energy: -63.816 flat angles C4'-P-C4' energy: -52.676 flat angles P-C4'-P energy: -30.305 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: 9, replica: 6 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -461.641258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.641258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.641258 (E_RNA) where: Base-Base interactions energy: -256.317 where: short stacking energy: -128.776 Base-Backbone interact. energy: -1.997 local terms energy: -203.327210 where: bonds (distance) C4'-P energy: -41.588 bonds (distance) P-C4' energy: -58.347 flat angles C4'-P-C4' energy: -59.142 flat angles P-C4'-P energy: -35.776 tors. eta vs tors. theta energy: -8.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -264.065532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.065532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.065532 (E_RNA) where: Base-Base interactions energy: -99.323 where: short stacking energy: -71.766 Base-Backbone interact. energy: -1.372 local terms energy: -163.370571 where: bonds (distance) C4'-P energy: -43.895 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -41.321 flat angles P-C4'-P energy: -23.925 tors. eta vs tors. theta energy: 8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1171.997962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.997962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.997962 (E_RNA) where: Base-Base interactions energy: -825.420 where: short stacking energy: -315.393 Base-Backbone interact. energy: 0.393 local terms energy: -346.970241 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -38.665 tors. eta vs tors. theta energy: -99.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1139.591977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.591977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.591977 (E_RNA) where: Base-Base interactions energy: -782.359 where: short stacking energy: -304.426 Base-Backbone interact. energy: -3.324 local terms energy: -353.908405 where: bonds (distance) C4'-P energy: -62.723 bonds (distance) P-C4' energy: -73.345 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -103.153 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: 5 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1135.091685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.091685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.091685 (E_RNA) where: Base-Base interactions energy: -793.957 where: short stacking energy: -313.657 Base-Backbone interact. energy: 0.119 local terms energy: -341.253919 where: bonds (distance) C4'-P energy: -66.789 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -62.226 flat angles P-C4'-P energy: -55.283 tors. eta vs tors. theta energy: -94.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1103.847954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.847954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.847954 (E_RNA) where: Base-Base interactions energy: -767.572 where: short stacking energy: -307.104 Base-Backbone interact. energy: 0.563 local terms energy: -336.839453 where: bonds (distance) C4'-P energy: -61.007 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -89.894 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: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1027.438770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.438770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.438770 (E_RNA) where: Base-Base interactions energy: -716.178 where: short stacking energy: -285.629 Base-Backbone interact. energy: 1.085 local terms energy: -312.345613 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -64.537 flat angles C4'-P-C4' energy: -58.239 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: -86.334 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: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -939.802415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.802415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.802415 (E_RNA) where: Base-Base interactions energy: -647.057 where: short stacking energy: -264.988 Base-Backbone interact. energy: -0.167 local terms energy: -292.577859 where: bonds (distance) C4'-P energy: -50.863 bonds (distance) P-C4' energy: -55.472 flat angles C4'-P-C4' energy: -62.085 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -82.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -722.526088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.526088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.526088 (E_RNA) where: Base-Base interactions energy: -482.591 where: short stacking energy: -189.728 Base-Backbone interact. energy: 2.344 local terms energy: -242.279131 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -55.992 flat angles C4'-P-C4' energy: -58.418 flat angles P-C4'-P energy: -28.158 tors. eta vs tors. theta energy: -40.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -601.631329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.631329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.631329 (E_RNA) where: Base-Base interactions energy: -383.156 where: short stacking energy: -177.824 Base-Backbone interact. energy: 2.053 local terms energy: -220.527649 where: bonds (distance) C4'-P energy: -42.908 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -51.559 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -503.598831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.598831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.598831 (E_RNA) where: Base-Base interactions energy: -280.524 where: short stacking energy: -135.280 Base-Backbone interact. energy: -1.063 local terms energy: -222.012283 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -30.736 tors. eta vs tors. theta energy: -12.811 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: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -288.135769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.135769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.135769 (E_RNA) where: Base-Base interactions energy: -99.001 where: short stacking energy: -80.220 Base-Backbone interact. energy: -0.211 local terms energy: -188.923613 where: bonds (distance) C4'-P energy: -52.843 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -51.723 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: 4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1184.536967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.536967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.536967 (E_RNA) where: Base-Base interactions energy: -830.262 where: short stacking energy: -337.223 Base-Backbone interact. energy: 5.637 local terms energy: -359.912696 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -73.322 flat angles C4'-P-C4' energy: -64.226 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -100.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1112.158145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.158145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.158145 (E_RNA) where: Base-Base interactions energy: -772.225 where: short stacking energy: -305.855 Base-Backbone interact. energy: -2.603 local terms energy: -337.330240 where: bonds (distance) C4'-P energy: -54.893 bonds (distance) P-C4' energy: -65.778 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -96.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1144.966985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.966985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.966985 (E_RNA) where: Base-Base interactions energy: -801.211 where: short stacking energy: -316.029 Base-Backbone interact. energy: -2.072 local terms energy: -341.683852 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -70.397 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -97.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1099.024691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.024691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.024691 (E_RNA) where: Base-Base interactions energy: -764.292 where: short stacking energy: -306.525 Base-Backbone interact. energy: -1.873 local terms energy: -332.860116 where: bonds (distance) C4'-P energy: -67.408 bonds (distance) P-C4' energy: -56.552 flat angles C4'-P-C4' energy: -75.452 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -88.054 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: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1024.892438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.892438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.892438 (E_RNA) where: Base-Base interactions energy: -708.399 where: short stacking energy: -282.622 Base-Backbone interact. energy: -1.556 local terms energy: -314.938104 where: bonds (distance) C4'-P energy: -47.636 bonds (distance) P-C4' energy: -66.054 flat angles C4'-P-C4' energy: -65.554 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -85.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -950.398841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.398841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.398841 (E_RNA) where: Base-Base interactions energy: -664.220 where: short stacking energy: -256.484 Base-Backbone interact. energy: -2.047 local terms energy: -284.131038 where: bonds (distance) C4'-P energy: -61.693 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -50.730 flat angles P-C4'-P energy: -34.356 tors. eta vs tors. theta energy: -80.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -751.396187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.396187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.396187 (E_RNA) where: Base-Base interactions energy: -499.400 where: short stacking energy: -224.322 Base-Backbone interact. energy: -1.974 local terms energy: -250.022538 where: bonds (distance) C4'-P energy: -55.482 bonds (distance) P-C4' energy: -58.219 flat angles C4'-P-C4' energy: -68.431 flat angles P-C4'-P energy: -26.905 tors. eta vs tors. theta energy: -40.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -639.954797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.954797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.954797 (E_RNA) where: Base-Base interactions energy: -393.523 where: short stacking energy: -179.807 Base-Backbone interact. energy: 1.693 local terms energy: -248.124461 where: bonds (distance) C4'-P energy: -57.089 bonds (distance) P-C4' energy: -66.204 flat angles C4'-P-C4' energy: -52.427 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: -38.999 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: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -422.718168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.718168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.718168 (E_RNA) where: Base-Base interactions energy: -230.939 where: short stacking energy: -142.887 Base-Backbone interact. energy: -0.813 local terms energy: -190.966229 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -54.793 flat angles C4'-P-C4' energy: -34.514 flat angles P-C4'-P energy: -32.634 tors. eta vs tors. theta energy: -14.290 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: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -279.305632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.305632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.305632 (E_RNA) where: Base-Base interactions energy: -98.368 where: short stacking energy: -87.050 Base-Backbone interact. energy: -0.976 local terms energy: -179.962048 where: bonds (distance) C4'-P energy: -52.352 bonds (distance) P-C4' energy: -53.773 flat angles C4'-P-C4' energy: -39.114 flat angles P-C4'-P energy: -35.378 tors. eta vs tors. theta energy: 0.655 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: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1185.110878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.110878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.110878 (E_RNA) where: Base-Base interactions energy: -824.747 where: short stacking energy: -325.419 Base-Backbone interact. energy: -1.136 local terms energy: -359.227737 where: bonds (distance) C4'-P energy: -74.122 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -48.729 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: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1152.346040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.346040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.346040 (E_RNA) where: Base-Base interactions energy: -816.379 where: short stacking energy: -331.626 Base-Backbone interact. energy: -1.375 local terms energy: -334.592143 where: bonds (distance) C4'-P energy: -61.339 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -65.826 flat angles P-C4'-P energy: -48.268 tors. eta vs tors. theta energy: -99.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1061.131787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.131787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.131787 (E_RNA) where: Base-Base interactions energy: -739.814 where: short stacking energy: -305.050 Base-Backbone interact. energy: -0.762 local terms energy: -320.555210 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -51.021 flat angles C4'-P-C4' energy: -65.877 flat angles P-C4'-P energy: -48.604 tors. eta vs tors. theta energy: -89.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1126.801904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.801904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.801904 (E_RNA) where: Base-Base interactions energy: -797.291 where: short stacking energy: -308.265 Base-Backbone interact. energy: -2.586 local terms energy: -326.925498 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -58.659 flat angles C4'-P-C4' energy: -71.872 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -92.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1072.872376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.872376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.872376 (E_RNA) where: Base-Base interactions energy: -752.170 where: short stacking energy: -293.779 Base-Backbone interact. energy: -0.698 local terms energy: -320.003788 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -62.847 flat angles C4'-P-C4' energy: -76.877 flat angles P-C4'-P energy: -42.703 tors. eta vs tors. theta energy: -83.025 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: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -964.448755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.448755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.448755 (E_RNA) where: Base-Base interactions energy: -657.994 where: short stacking energy: -268.132 Base-Backbone interact. energy: 0.540 local terms energy: -306.994479 where: bonds (distance) C4'-P energy: -60.028 bonds (distance) P-C4' energy: -59.077 flat angles C4'-P-C4' energy: -63.017 flat angles P-C4'-P energy: -37.358 tors. eta vs tors. theta energy: -87.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -783.616662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.616662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.616662 (E_RNA) where: Base-Base interactions energy: -516.534 where: short stacking energy: -232.611 Base-Backbone interact. energy: -1.417 local terms energy: -265.665464 where: bonds (distance) C4'-P energy: -57.122 bonds (distance) P-C4' energy: -56.327 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -36.204 tors. eta vs tors. theta energy: -62.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -655.211239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.211239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.211239 (E_RNA) where: Base-Base interactions energy: -403.837 where: short stacking energy: -183.671 Base-Backbone interact. energy: 0.399 local terms energy: -251.772998 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -60.888 flat angles C4'-P-C4' energy: -51.496 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -39.330 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: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -407.636891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.636891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.636891 (E_RNA) where: Base-Base interactions energy: -198.985 where: short stacking energy: -111.689 Base-Backbone interact. energy: -1.802 local terms energy: -206.849133 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -56.322 flat angles C4'-P-C4' energy: -41.565 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: -5.728 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -294.035235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.035235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.035235 (E_RNA) where: Base-Base interactions energy: -116.310 where: short stacking energy: -71.282 Base-Backbone interact. energy: 1.838 local terms energy: -179.563719 where: bonds (distance) C4'-P energy: -49.278 bonds (distance) P-C4' energy: -61.519 flat angles C4'-P-C4' energy: -45.346 flat angles P-C4'-P energy: -27.203 tors. eta vs tors. theta energy: 3.783 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: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1188.234298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.234298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.234298 (E_RNA) where: Base-Base interactions energy: -834.761 where: short stacking energy: -340.810 Base-Backbone interact. energy: -1.233 local terms energy: -352.240479 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -67.391 flat angles C4'-P-C4' energy: -77.310 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: -100.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1136.120409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.120409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.120409 (E_RNA) where: Base-Base interactions energy: -791.479 where: short stacking energy: -314.388 Base-Backbone interact. energy: -1.872 local terms energy: -342.769523 where: bonds (distance) C4'-P energy: -64.726 bonds (distance) P-C4' energy: -65.533 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -40.561 tors. eta vs tors. theta energy: -102.041 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: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1165.596343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.596343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.596343 (E_RNA) where: Base-Base interactions energy: -839.702 where: short stacking energy: -314.751 Base-Backbone interact. energy: -2.650 local terms energy: -323.243757 where: bonds (distance) C4'-P energy: -51.239 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -70.217 flat angles P-C4'-P energy: -44.428 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: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1054.651279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.651279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.651279 (E_RNA) where: Base-Base interactions energy: -736.118 where: short stacking energy: -304.451 Base-Backbone interact. energy: -2.827 local terms energy: -315.706447 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -55.156 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -98.524 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: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -994.292547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.292547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.292547 (E_RNA) where: Base-Base interactions energy: -683.491 where: short stacking energy: -275.479 Base-Backbone interact. energy: 3.530 local terms energy: -314.331706 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -60.322 flat angles C4'-P-C4' energy: -69.455 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -81.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1017.069743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.069743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.069743 (E_RNA) where: Base-Base interactions energy: -697.067 where: short stacking energy: -284.752 Base-Backbone interact. energy: -0.510 local terms energy: -319.492886 where: bonds (distance) C4'-P energy: -56.273 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -51.819 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: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -763.997352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.997352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.997352 (E_RNA) where: Base-Base interactions energy: -507.731 where: short stacking energy: -204.872 Base-Backbone interact. energy: 0.096 local terms energy: -256.362451 where: bonds (distance) C4'-P energy: -47.337 bonds (distance) P-C4' energy: -61.382 flat angles C4'-P-C4' energy: -56.481 flat angles P-C4'-P energy: -42.104 tors. eta vs tors. theta energy: -49.058 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: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -587.745487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.745487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.745487 (E_RNA) where: Base-Base interactions energy: -358.138 where: short stacking energy: -171.665 Base-Backbone interact. energy: 1.511 local terms energy: -231.118160 where: bonds (distance) C4'-P energy: -48.234 bonds (distance) P-C4' energy: -55.518 flat angles C4'-P-C4' energy: -56.223 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -30.787 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: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -449.658664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.658664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.658664 (E_RNA) where: Base-Base interactions energy: -227.279 where: short stacking energy: -143.272 Base-Backbone interact. energy: 0.729 local terms energy: -223.108338 where: bonds (distance) C4'-P energy: -54.322 bonds (distance) P-C4' energy: -68.273 flat angles C4'-P-C4' energy: -49.369 flat angles P-C4'-P energy: -33.932 tors. eta vs tors. theta energy: -17.212 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: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -261.917577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.917577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.917577 (E_RNA) where: Base-Base interactions energy: -93.084 where: short stacking energy: -74.279 Base-Backbone interact. energy: -2.541 local terms energy: -166.292323 where: bonds (distance) C4'-P energy: -53.237 bonds (distance) P-C4' energy: -52.830 flat angles C4'-P-C4' energy: -51.104 flat angles P-C4'-P energy: -25.114 tors. eta vs tors. theta energy: 15.993 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1172.104232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.104232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.104232 (E_RNA) where: Base-Base interactions energy: -830.990 where: short stacking energy: -327.022 Base-Backbone interact. energy: -1.752 local terms energy: -339.361497 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -71.558 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -94.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1188.921929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.921929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.921929 (E_RNA) where: Base-Base interactions energy: -831.038 where: short stacking energy: -331.766 Base-Backbone interact. energy: -0.689 local terms energy: -357.194542 where: bonds (distance) C4'-P energy: -65.906 bonds (distance) P-C4' energy: -71.655 flat angles C4'-P-C4' energy: -68.050 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -102.961 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1118.710975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.710975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.710975 (E_RNA) where: Base-Base interactions energy: -786.162 where: short stacking energy: -315.077 Base-Backbone interact. energy: -3.190 local terms energy: -329.358990 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -70.071 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -94.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1008.411920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.411920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.411920 (E_RNA) where: Base-Base interactions energy: -685.627 where: short stacking energy: -282.398 Base-Backbone interact. energy: 0.384 local terms energy: -323.169196 where: bonds (distance) C4'-P energy: -72.579 bonds (distance) P-C4' energy: -63.859 flat angles C4'-P-C4' energy: -69.107 flat angles P-C4'-P energy: -40.904 tors. eta vs tors. theta energy: -76.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -992.287166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.287166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.287166 (E_RNA) where: Base-Base interactions energy: -683.904 where: short stacking energy: -269.924 Base-Backbone interact. energy: -1.408 local terms energy: -306.974856 where: bonds (distance) C4'-P energy: -55.400 bonds (distance) P-C4' energy: -63.798 flat angles C4'-P-C4' energy: -64.603 flat angles P-C4'-P energy: -38.645 tors. eta vs tors. theta energy: -84.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -957.114100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.114100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.114100 (E_RNA) where: Base-Base interactions energy: -639.594 where: short stacking energy: -258.594 Base-Backbone interact. energy: -1.004 local terms energy: -316.516268 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -64.329 flat angles C4'-P-C4' energy: -62.434 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -83.599 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: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -754.148416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.148416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.148416 (E_RNA) where: Base-Base interactions energy: -479.170 where: short stacking energy: -198.076 Base-Backbone interact. energy: -1.118 local terms energy: -273.860295 where: bonds (distance) C4'-P energy: -63.924 bonds (distance) P-C4' energy: -58.490 flat angles C4'-P-C4' energy: -62.997 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -51.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -589.870165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.870165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.870165 (E_RNA) where: Base-Base interactions energy: -355.793 where: short stacking energy: -161.484 Base-Backbone interact. energy: 1.404 local terms energy: -235.481674 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: -20.268 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: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -409.449554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.449554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.449554 (E_RNA) where: Base-Base interactions energy: -212.347 where: short stacking energy: -126.050 Base-Backbone interact. energy: -0.327 local terms energy: -196.776183 where: bonds (distance) C4'-P energy: -50.095 bonds (distance) P-C4' energy: -38.143 flat angles C4'-P-C4' energy: -61.987 flat angles P-C4'-P energy: -31.931 tors. eta vs tors. theta energy: -14.620 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: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -269.022868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.022868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.022868 (E_RNA) where: Base-Base interactions energy: -85.071 where: short stacking energy: -71.892 Base-Backbone interact. energy: 2.675 local terms energy: -186.626838 where: bonds (distance) C4'-P energy: -45.666 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -46.665 flat angles P-C4'-P energy: -37.832 tors. eta vs tors. theta energy: 7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1209.288861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.288861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.288861 (E_RNA) where: Base-Base interactions energy: -846.115 where: short stacking energy: -324.451 Base-Backbone interact. energy: -0.608 local terms energy: -362.565823 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -74.964 flat angles P-C4'-P energy: -52.202 tors. eta vs tors. theta energy: -99.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1157.621946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.621946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.621946 (E_RNA) where: Base-Base interactions energy: -801.368 where: short stacking energy: -318.080 Base-Backbone interact. energy: -1.684 local terms energy: -354.570005 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -77.499 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -97.602 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1136.300132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.300132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.300132 (E_RNA) where: Base-Base interactions energy: -813.362 where: short stacking energy: -301.959 Base-Backbone interact. energy: -1.231 local terms energy: -321.707142 where: bonds (distance) C4'-P energy: -68.554 bonds (distance) P-C4' energy: -59.517 flat angles C4'-P-C4' energy: -66.633 flat angles P-C4'-P energy: -33.325 tors. eta vs tors. theta energy: -93.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1014.371977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.371977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.371977 (E_RNA) where: Base-Base interactions energy: -688.203 where: short stacking energy: -287.380 Base-Backbone interact. energy: 0.009 local terms energy: -326.178374 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -79.507 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: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -999.043362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.043362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.043362 (E_RNA) where: Base-Base interactions energy: -706.723 where: short stacking energy: -286.147 Base-Backbone interact. energy: -1.560 local terms energy: -290.759537 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -51.191 flat angles C4'-P-C4' energy: -58.109 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -76.711 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: 170 Temperature: 1.150000 Total energy: -976.359381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.359381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.359381 (E_RNA) where: Base-Base interactions energy: -681.509 where: short stacking energy: -260.750 Base-Backbone interact. energy: -1.899 local terms energy: -292.951664 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -60.405 flat angles C4'-P-C4' energy: -60.878 flat angles P-C4'-P energy: -37.867 tors. eta vs tors. theta energy: -77.435 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -719.989907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.989907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.989907 (E_RNA) where: Base-Base interactions energy: -467.926 where: short stacking energy: -198.574 Base-Backbone interact. energy: -1.540 local terms energy: -250.523950 where: bonds (distance) C4'-P energy: -49.921 bonds (distance) P-C4' energy: -59.197 flat angles C4'-P-C4' energy: -49.180 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: -48.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -587.484424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.484424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.484424 (E_RNA) where: Base-Base interactions energy: -350.329 where: short stacking energy: -152.865 Base-Backbone interact. energy: -0.373 local terms energy: -236.782403 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -46.901 flat angles C4'-P-C4' energy: -61.719 flat angles P-C4'-P energy: -28.569 tors. eta vs tors. theta energy: -35.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -406.013630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.013630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.013630 (E_RNA) where: Base-Base interactions energy: -215.121 where: short stacking energy: -110.235 Base-Backbone interact. energy: 1.130 local terms energy: -192.023101 where: bonds (distance) C4'-P energy: -57.503 bonds (distance) P-C4' energy: -47.341 flat angles C4'-P-C4' energy: -42.573 flat angles P-C4'-P energy: -40.694 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -260.635110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.635110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.635110 (E_RNA) where: Base-Base interactions energy: -76.528 where: short stacking energy: -66.060 Base-Backbone interact. energy: -1.240 local terms energy: -182.867405 where: bonds (distance) C4'-P energy: -49.886 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -59.606 flat angles P-C4'-P energy: -31.140 tors. eta vs tors. theta energy: 11.708 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1210.700897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.700897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.700897 (E_RNA) where: Base-Base interactions energy: -857.158 where: short stacking energy: -334.093 Base-Backbone interact. energy: -0.881 local terms energy: -352.662110 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -69.897 flat angles C4'-P-C4' energy: -76.016 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: -97.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1167.994715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.994715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.994715 (E_RNA) where: Base-Base interactions energy: -807.831 where: short stacking energy: -333.034 Base-Backbone interact. energy: -1.436 local terms energy: -358.727972 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -64.481 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -56.365 tors. eta vs tors. theta energy: -103.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1094.938501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.938501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.938501 (E_RNA) where: Base-Base interactions energy: -763.188 where: short stacking energy: -293.546 Base-Backbone interact. energy: -0.998 local terms energy: -330.752291 where: bonds (distance) C4'-P energy: -58.998 bonds (distance) P-C4' energy: -64.584 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -88.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1031.358620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.358620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.358620 (E_RNA) where: Base-Base interactions energy: -708.526 where: short stacking energy: -291.591 Base-Backbone interact. energy: -0.835 local terms energy: -321.996833 where: bonds (distance) C4'-P energy: -57.253 bonds (distance) P-C4' energy: -60.587 flat angles C4'-P-C4' energy: -72.063 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -90.550 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: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1005.521581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.521581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.521581 (E_RNA) where: Base-Base interactions energy: -699.528 where: short stacking energy: -282.944 Base-Backbone interact. energy: -1.681 local terms energy: -304.311991 where: bonds (distance) C4'-P energy: -44.895 bonds (distance) P-C4' energy: -61.249 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: -85.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -975.362813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.362813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.362813 (E_RNA) where: Base-Base interactions energy: -690.272 where: short stacking energy: -269.570 Base-Backbone interact. energy: -0.126 local terms energy: -284.964575 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -51.634 flat angles C4'-P-C4' energy: -62.414 flat angles P-C4'-P energy: -34.286 tors. eta vs tors. theta energy: -71.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -748.578715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.578715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.578715 (E_RNA) where: Base-Base interactions energy: -481.152 where: short stacking energy: -213.849 Base-Backbone interact. energy: -0.062 local terms energy: -267.364149 where: bonds (distance) C4'-P energy: -61.770 bonds (distance) P-C4' energy: -49.056 flat angles C4'-P-C4' energy: -57.816 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -55.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -567.328996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.328996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.328996 (E_RNA) where: Base-Base interactions energy: -328.101 where: short stacking energy: -170.153 Base-Backbone interact. energy: -2.142 local terms energy: -237.085805 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -36.771 tors. eta vs tors. theta energy: -20.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -472.895891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.895891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.895891 (E_RNA) where: Base-Base interactions energy: -267.069 where: short stacking energy: -120.403 Base-Backbone interact. energy: -0.402 local terms energy: -205.425422 where: bonds (distance) C4'-P energy: -59.395 bonds (distance) P-C4' energy: -49.483 flat angles C4'-P-C4' energy: -45.221 flat angles P-C4'-P energy: -36.374 tors. eta vs tors. theta energy: -14.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -264.604729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.604729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.604729 (E_RNA) where: Base-Base interactions energy: -77.865 where: short stacking energy: -55.805 Base-Backbone interact. energy: -1.754 local terms energy: -184.986024 where: bonds (distance) C4'-P energy: -54.569 bonds (distance) P-C4' energy: -59.320 flat angles C4'-P-C4' energy: -38.412 flat angles P-C4'-P energy: -45.741 tors. eta vs tors. theta energy: 13.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1225.032378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.032378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.032378 (E_RNA) where: Base-Base interactions energy: -866.797 where: short stacking energy: -324.440 Base-Backbone interact. energy: -1.781 local terms energy: -356.453975 where: bonds (distance) C4'-P energy: -68.513 bonds (distance) P-C4' energy: -64.680 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -102.541 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: 172 Temperature: 0.950000 Total energy: -1177.867510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.867510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.867510 (E_RNA) where: Base-Base interactions energy: -808.549 where: short stacking energy: -315.101 Base-Backbone interact. energy: -1.242 local terms energy: -368.076395 where: bonds (distance) C4'-P energy: -72.732 bonds (distance) P-C4' energy: -74.039 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -51.962 tors. eta vs tors. theta energy: -94.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1094.071528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.071528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.071528 (E_RNA) where: Base-Base interactions energy: -769.661 where: short stacking energy: -298.461 Base-Backbone interact. energy: -3.024 local terms energy: -321.386451 where: bonds (distance) C4'-P energy: -57.510 bonds (distance) P-C4' energy: -64.536 flat angles C4'-P-C4' energy: -72.682 flat angles P-C4'-P energy: -34.650 tors. eta vs tors. theta energy: -92.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1021.105489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.105489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.105489 (E_RNA) where: Base-Base interactions energy: -718.838 where: short stacking energy: -303.876 Base-Backbone interact. energy: -1.145 local terms energy: -301.122351 where: bonds (distance) C4'-P energy: -44.261 bonds (distance) P-C4' energy: -49.223 flat angles C4'-P-C4' energy: -63.166 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: -96.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -981.798672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.798672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.798672 (E_RNA) where: Base-Base interactions energy: -682.778 where: short stacking energy: -283.104 Base-Backbone interact. energy: 0.054 local terms energy: -299.074827 where: bonds (distance) C4'-P energy: -50.877 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -60.382 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -77.056 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: 172 Temperature: 1.150000 Total energy: -981.715841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.715841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.715841 (E_RNA) where: Base-Base interactions energy: -692.166 where: short stacking energy: -270.185 Base-Backbone interact. energy: -1.433 local terms energy: -288.116127 where: bonds (distance) C4'-P energy: -56.840 bonds (distance) P-C4' energy: -60.115 flat angles C4'-P-C4' energy: -64.680 flat angles P-C4'-P energy: -38.276 tors. eta vs tors. theta energy: -68.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -745.859219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.859219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.859219 (E_RNA) where: Base-Base interactions energy: -478.589 where: short stacking energy: -189.760 Base-Backbone interact. energy: -1.517 local terms energy: -265.753377 where: bonds (distance) C4'-P energy: -67.632 bonds (distance) P-C4' energy: -58.564 flat angles C4'-P-C4' energy: -56.795 flat angles P-C4'-P energy: -36.470 tors. eta vs tors. theta energy: -46.293 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: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -605.036817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.036817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.036817 (E_RNA) where: Base-Base interactions energy: -383.230 where: short stacking energy: -171.615 Base-Backbone interact. energy: 4.178 local terms energy: -225.985369 where: bonds (distance) C4'-P energy: -37.633 bonds (distance) P-C4' energy: -62.448 flat angles C4'-P-C4' energy: -54.518 flat angles P-C4'-P energy: -32.496 tors. eta vs tors. theta energy: -38.891 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: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -501.418519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.418519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.418519 (E_RNA) where: Base-Base interactions energy: -297.727 where: short stacking energy: -130.715 Base-Backbone interact. energy: -2.991 local terms energy: -200.700448 where: bonds (distance) C4'-P energy: -55.096 bonds (distance) P-C4' energy: -49.320 flat angles C4'-P-C4' energy: -58.390 flat angles P-C4'-P energy: -25.719 tors. eta vs tors. theta energy: -12.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -269.558580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.558580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.558580 (E_RNA) where: Base-Base interactions energy: -74.070 where: short stacking energy: -69.994 Base-Backbone interact. energy: -0.725 local terms energy: -194.763530 where: bonds (distance) C4'-P energy: -55.662 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -48.726 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: 12.873 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: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1221.014421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.014421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.014421 (E_RNA) where: Base-Base interactions energy: -851.274 where: short stacking energy: -322.932 Base-Backbone interact. energy: -1.865 local terms energy: -367.874834 where: bonds (distance) C4'-P energy: -71.928 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -53.423 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1169.950172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.950172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.950172 (E_RNA) where: Base-Base interactions energy: -835.504 where: short stacking energy: -340.350 Base-Backbone interact. energy: 0.562 local terms energy: -335.008174 where: bonds (distance) C4'-P energy: -55.998 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -70.683 flat angles P-C4'-P energy: -49.730 tors. eta vs tors. theta energy: -99.801 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: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1078.156371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.156371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.156371 (E_RNA) where: Base-Base interactions energy: -749.403 where: short stacking energy: -292.342 Base-Backbone interact. energy: -2.388 local terms energy: -326.365667 where: bonds (distance) C4'-P energy: -66.528 bonds (distance) P-C4' energy: -57.490 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -86.811 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: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1031.417559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.417559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.417559 (E_RNA) where: Base-Base interactions energy: -714.093 where: short stacking energy: -296.220 Base-Backbone interact. energy: -2.843 local terms energy: -314.481773 where: bonds (distance) C4'-P energy: -54.389 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -64.873 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -88.909 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: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -986.296384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.296384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.296384 (E_RNA) where: Base-Base interactions energy: -652.489 where: short stacking energy: -281.962 Base-Backbone interact. energy: 0.562 local terms energy: -334.369196 where: bonds (distance) C4'-P energy: -59.666 bonds (distance) P-C4' energy: -62.983 flat angles C4'-P-C4' energy: -74.136 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -83.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -987.682971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.682971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.682971 (E_RNA) where: Base-Base interactions energy: -695.345 where: short stacking energy: -277.404 Base-Backbone interact. energy: -2.300 local terms energy: -290.037744 where: bonds (distance) C4'-P energy: -67.801 bonds (distance) P-C4' energy: -45.751 flat angles C4'-P-C4' energy: -56.593 flat angles P-C4'-P energy: -37.880 tors. eta vs tors. theta energy: -82.013 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -737.176435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.176435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.176435 (E_RNA) where: Base-Base interactions energy: -482.227 where: short stacking energy: -194.541 Base-Backbone interact. energy: -1.501 local terms energy: -253.448496 where: bonds (distance) C4'-P energy: -49.651 bonds (distance) P-C4' energy: -56.545 flat angles C4'-P-C4' energy: -59.849 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -44.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -654.071448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.071448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.071448 (E_RNA) where: Base-Base interactions energy: -414.889 where: short stacking energy: -182.746 Base-Backbone interact. energy: -0.144 local terms energy: -239.038238 where: bonds (distance) C4'-P energy: -50.532 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -60.765 flat angles P-C4'-P energy: -37.774 tors. eta vs tors. theta energy: -29.403 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: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -460.493669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.493669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.493669 (E_RNA) where: Base-Base interactions energy: -253.057 where: short stacking energy: -135.097 Base-Backbone interact. energy: -1.488 local terms energy: -205.948643 where: bonds (distance) C4'-P energy: -50.775 bonds (distance) P-C4' energy: -53.806 flat angles C4'-P-C4' energy: -59.042 flat angles P-C4'-P energy: -30.244 tors. eta vs tors. theta energy: -12.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -291.963611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.963611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.963611 (E_RNA) where: Base-Base interactions energy: -125.607 where: short stacking energy: -85.709 Base-Backbone interact. energy: 4.629 local terms energy: -170.986084 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -56.782 flat angles C4'-P-C4' energy: -39.441 flat angles P-C4'-P energy: -24.874 tors. eta vs tors. theta energy: 6.923 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: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1214.327472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.327472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.327472 (E_RNA) where: Base-Base interactions energy: -872.130 where: short stacking energy: -331.715 Base-Backbone interact. energy: -2.668 local terms energy: -339.529182 where: bonds (distance) C4'-P energy: -52.496 bonds (distance) P-C4' energy: -70.278 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: -97.708 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: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1169.382772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.382772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.382772 (E_RNA) where: Base-Base interactions energy: -824.342 where: short stacking energy: -333.973 Base-Backbone interact. energy: 0.068 local terms energy: -345.108364 where: bonds (distance) C4'-P energy: -57.913 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -77.516 flat angles P-C4'-P energy: -52.039 tors. eta vs tors. theta energy: -98.275 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: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1118.458232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.458232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.458232 (E_RNA) where: Base-Base interactions energy: -765.980 where: short stacking energy: -310.828 Base-Backbone interact. energy: -0.805 local terms energy: -351.672729 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -71.253 flat angles P-C4'-P energy: -56.352 tors. eta vs tors. theta energy: -93.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1037.941496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.941496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.941496 (E_RNA) where: Base-Base interactions energy: -715.974 where: short stacking energy: -292.416 Base-Backbone interact. energy: -1.819 local terms energy: -320.148529 where: bonds (distance) C4'-P energy: -61.566 bonds (distance) P-C4' energy: -51.873 flat angles C4'-P-C4' energy: -70.299 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -90.695 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1054.449596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.449596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.449596 (E_RNA) where: Base-Base interactions energy: -723.075 where: short stacking energy: -299.325 Base-Backbone interact. energy: -1.650 local terms energy: -329.724607 where: bonds (distance) C4'-P energy: -62.218 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -68.507 flat angles P-C4'-P energy: -50.093 tors. eta vs tors. theta energy: -87.000 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: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -940.620301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.620301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.620301 (E_RNA) where: Base-Base interactions energy: -638.826 where: short stacking energy: -266.688 Base-Backbone interact. energy: -0.573 local terms energy: -301.221156 where: bonds (distance) C4'-P energy: -60.026 bonds (distance) P-C4' energy: -58.355 flat angles C4'-P-C4' energy: -65.155 flat angles P-C4'-P energy: -50.067 tors. eta vs tors. theta energy: -67.618 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: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -777.049302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.049302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.049302 (E_RNA) where: Base-Base interactions energy: -499.138 where: short stacking energy: -202.064 Base-Backbone interact. energy: 1.828 local terms energy: -279.739814 where: bonds (distance) C4'-P energy: -43.677 bonds (distance) P-C4' energy: -62.848 flat angles C4'-P-C4' energy: -75.587 flat angles P-C4'-P energy: -40.947 tors. eta vs tors. theta energy: -56.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -637.368730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.368730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.368730 (E_RNA) where: Base-Base interactions energy: -411.663 where: short stacking energy: -180.266 Base-Backbone interact. energy: -1.396 local terms energy: -224.309279 where: bonds (distance) C4'-P energy: -46.606 bonds (distance) P-C4' energy: -52.038 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -37.349 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: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -551.972746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.972746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.972746 (E_RNA) where: Base-Base interactions energy: -328.677 where: short stacking energy: -150.729 Base-Backbone interact. energy: -0.672 local terms energy: -222.623789 where: bonds (distance) C4'-P energy: -50.629 bonds (distance) P-C4' energy: -53.728 flat angles C4'-P-C4' energy: -61.364 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -311.768477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.768477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.768477 (E_RNA) where: Base-Base interactions energy: -121.298 where: short stacking energy: -80.337 Base-Backbone interact. energy: 3.953 local terms energy: -194.423122 where: bonds (distance) C4'-P energy: -65.398 bonds (distance) P-C4' energy: -45.842 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -32.949 tors. eta vs tors. theta energy: 9.623 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: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1218.261829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.261829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.261829 (E_RNA) where: Base-Base interactions energy: -870.741 where: short stacking energy: -336.826 Base-Backbone interact. energy: -1.080 local terms energy: -346.440829 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -71.370 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -97.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1173.528813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.528813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.528813 (E_RNA) where: Base-Base interactions energy: -816.951 where: short stacking energy: -334.263 Base-Backbone interact. energy: -1.312 local terms energy: -355.266180 where: bonds (distance) C4'-P energy: -67.721 bonds (distance) P-C4' energy: -68.435 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -100.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1101.877357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.877357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.877357 (E_RNA) where: Base-Base interactions energy: -762.159 where: short stacking energy: -311.863 Base-Backbone interact. energy: -1.741 local terms energy: -337.977511 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -67.420 flat angles C4'-P-C4' energy: -71.709 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -87.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1030.118950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.118950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.118950 (E_RNA) where: Base-Base interactions energy: -704.582 where: short stacking energy: -269.346 Base-Backbone interact. energy: -1.515 local terms energy: -324.021737 where: bonds (distance) C4'-P energy: -55.093 bonds (distance) P-C4' energy: -60.326 flat angles C4'-P-C4' energy: -75.415 flat angles P-C4'-P energy: -45.198 tors. eta vs tors. theta energy: -87.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1024.958284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.958284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.958284 (E_RNA) where: Base-Base interactions energy: -712.781 where: short stacking energy: -274.843 Base-Backbone interact. energy: 1.979 local terms energy: -314.156682 where: bonds (distance) C4'-P energy: -66.154 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -61.422 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -80.560 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: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -883.414391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.414391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.414391 (E_RNA) where: Base-Base interactions energy: -579.202 where: short stacking energy: -235.454 Base-Backbone interact. energy: -1.241 local terms energy: -302.971257 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -71.040 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -65.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -738.911716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.911716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.911716 (E_RNA) where: Base-Base interactions energy: -472.401 where: short stacking energy: -213.368 Base-Backbone interact. energy: -1.256 local terms energy: -265.254903 where: bonds (distance) C4'-P energy: -56.528 bonds (distance) P-C4' energy: -60.289 flat angles C4'-P-C4' energy: -56.604 flat angles P-C4'-P energy: -35.846 tors. eta vs tors. theta energy: -55.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -640.598061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.598061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.598061 (E_RNA) where: Base-Base interactions energy: -400.834 where: short stacking energy: -180.203 Base-Backbone interact. energy: 1.829 local terms energy: -241.592670 where: bonds (distance) C4'-P energy: -62.957 bonds (distance) P-C4' energy: -55.815 flat angles C4'-P-C4' energy: -52.219 flat angles P-C4'-P energy: -36.360 tors. eta vs tors. theta energy: -34.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -545.047469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.047469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.047469 (E_RNA) where: Base-Base interactions energy: -311.347 where: short stacking energy: -154.693 Base-Backbone interact. energy: 1.492 local terms energy: -235.191833 where: bonds (distance) C4'-P energy: -52.594 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -56.169 flat angles P-C4'-P energy: -36.927 tors. eta vs tors. theta energy: -24.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -271.659753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.659753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.659753 (E_RNA) where: Base-Base interactions energy: -107.720 where: short stacking energy: -97.056 Base-Backbone interact. energy: 0.887 local terms energy: -164.826134 where: bonds (distance) C4'-P energy: -45.188 bonds (distance) P-C4' energy: -47.350 flat angles C4'-P-C4' energy: -33.116 flat angles P-C4'-P energy: -37.247 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1192.197363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.197363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.197363 (E_RNA) where: Base-Base interactions energy: -835.939 where: short stacking energy: -345.843 Base-Backbone interact. energy: -2.182 local terms energy: -354.076341 where: bonds (distance) C4'-P energy: -64.402 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -71.332 flat angles P-C4'-P energy: -43.696 tors. eta vs tors. theta energy: -104.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1209.996291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.996291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.996291 (E_RNA) where: Base-Base interactions energy: -875.511 where: short stacking energy: -325.005 Base-Backbone interact. energy: -1.240 local terms energy: -333.245676 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -67.909 flat angles P-C4'-P energy: -48.565 tors. eta vs tors. theta energy: -95.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1115.392325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.392325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.392325 (E_RNA) where: Base-Base interactions energy: -768.493 where: short stacking energy: -314.474 Base-Backbone interact. energy: -3.043 local terms energy: -343.856568 where: bonds (distance) C4'-P energy: -65.223 bonds (distance) P-C4' energy: -69.418 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -48.486 tors. eta vs tors. theta energy: -89.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1038.463594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.463594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.463594 (E_RNA) where: Base-Base interactions energy: -717.132 where: short stacking energy: -298.347 Base-Backbone interact. energy: 0.697 local terms energy: -322.029437 where: bonds (distance) C4'-P energy: -60.846 bonds (distance) P-C4' energy: -63.945 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -86.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1026.632749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.632749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.632749 (E_RNA) where: Base-Base interactions energy: -716.377 where: short stacking energy: -267.373 Base-Backbone interact. energy: -1.367 local terms energy: -308.888599 where: bonds (distance) C4'-P energy: -62.725 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -66.271 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: -75.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -852.371723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.371723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.371723 (E_RNA) where: Base-Base interactions energy: -574.297 where: short stacking energy: -236.283 Base-Backbone interact. energy: 7.495 local terms energy: -285.569896 where: bonds (distance) C4'-P energy: -52.690 bonds (distance) P-C4' energy: -67.508 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -45.109 tors. eta vs tors. theta energy: -58.474 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: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -724.057926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.057926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.057926 (E_RNA) where: Base-Base interactions energy: -471.301 where: short stacking energy: -212.356 Base-Backbone interact. energy: -0.865 local terms energy: -251.892061 where: bonds (distance) C4'-P energy: -54.292 bonds (distance) P-C4' energy: -56.049 flat angles C4'-P-C4' energy: -56.104 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: -46.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -618.731117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.731117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.731117 (E_RNA) where: Base-Base interactions energy: -388.029 where: short stacking energy: -179.573 Base-Backbone interact. energy: -1.482 local terms energy: -229.220204 where: bonds (distance) C4'-P energy: -53.862 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -49.870 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: -24.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -591.334181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.334181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.334181 (E_RNA) where: Base-Base interactions energy: -373.652 where: short stacking energy: -179.257 Base-Backbone interact. energy: -0.937 local terms energy: -216.744712 where: bonds (distance) C4'-P energy: -57.467 bonds (distance) P-C4' energy: -58.740 flat angles C4'-P-C4' energy: -46.870 flat angles P-C4'-P energy: -25.749 tors. eta vs tors. theta energy: -27.919 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: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -255.189315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.189315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.189315 (E_RNA) where: Base-Base interactions energy: -83.056 where: short stacking energy: -69.718 Base-Backbone interact. energy: 0.984 local terms energy: -173.117014 where: bonds (distance) C4'-P energy: -55.194 bonds (distance) P-C4' energy: -56.531 flat angles C4'-P-C4' energy: -33.356 flat angles P-C4'-P energy: -34.471 tors. eta vs tors. theta energy: 6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1173.006601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.006601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.006601 (E_RNA) where: Base-Base interactions energy: -823.154 where: short stacking energy: -336.060 Base-Backbone interact. energy: 0.508 local terms energy: -350.360316 where: bonds (distance) C4'-P energy: -68.462 bonds (distance) P-C4' energy: -53.994 flat angles C4'-P-C4' energy: -76.156 flat angles P-C4'-P energy: -50.812 tors. eta vs tors. theta energy: -100.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1205.061416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.061416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.061416 (E_RNA) where: Base-Base interactions energy: -862.143 where: short stacking energy: -317.503 Base-Backbone interact. energy: -1.951 local terms energy: -340.967603 where: bonds (distance) C4'-P energy: -70.250 bonds (distance) P-C4' energy: -65.688 flat angles C4'-P-C4' energy: -70.323 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -94.562 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: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1107.275437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.275437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.275437 (E_RNA) where: Base-Base interactions energy: -777.522 where: short stacking energy: -322.893 Base-Backbone interact. energy: -1.285 local terms energy: -328.467768 where: bonds (distance) C4'-P energy: -56.539 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -100.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1034.441674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.441674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.441674 (E_RNA) where: Base-Base interactions energy: -709.250 where: short stacking energy: -299.202 Base-Backbone interact. energy: -1.224 local terms energy: -323.967430 where: bonds (distance) C4'-P energy: -60.758 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -69.740 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -87.355 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: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1054.651984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.651984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.651984 (E_RNA) where: Base-Base interactions energy: -726.842 where: short stacking energy: -290.083 Base-Backbone interact. energy: -1.297 local terms energy: -326.512661 where: bonds (distance) C4'-P energy: -70.770 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -75.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -869.906569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.906569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.906569 (E_RNA) where: Base-Base interactions energy: -564.066 where: short stacking energy: -254.479 Base-Backbone interact. energy: -0.426 local terms energy: -305.414086 where: bonds (distance) C4'-P energy: -50.126 bonds (distance) P-C4' energy: -64.487 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -77.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -743.450200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.450200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.450200 (E_RNA) where: Base-Base interactions energy: -488.856 where: short stacking energy: -206.028 Base-Backbone interact. energy: -1.172 local terms energy: -253.422376 where: bonds (distance) C4'-P energy: -48.978 bonds (distance) P-C4' energy: -64.775 flat angles C4'-P-C4' energy: -49.769 flat angles P-C4'-P energy: -42.910 tors. eta vs tors. theta energy: -46.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -592.390818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.390818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.390818 (E_RNA) where: Base-Base interactions energy: -359.069 where: short stacking energy: -171.171 Base-Backbone interact. energy: -0.691 local terms energy: -232.629876 where: bonds (distance) C4'-P energy: -49.751 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -52.409 flat angles P-C4'-P energy: -37.246 tors. eta vs tors. theta energy: -29.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -601.390829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.390829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.390829 (E_RNA) where: Base-Base interactions energy: -367.992 where: short stacking energy: -173.426 Base-Backbone interact. energy: 1.739 local terms energy: -235.138277 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -55.900 flat angles C4'-P-C4' energy: -60.810 flat angles P-C4'-P energy: -36.623 tors. eta vs tors. theta energy: -26.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -283.093977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.093977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.093977 (E_RNA) where: Base-Base interactions energy: -98.636 where: short stacking energy: -68.120 Base-Backbone interact. energy: 0.095 local terms energy: -184.552773 where: bonds (distance) C4'-P energy: -57.038 bonds (distance) P-C4' energy: -59.673 flat angles C4'-P-C4' energy: -44.307 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: 17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1227.850980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.850980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.850980 (E_RNA) where: Base-Base interactions energy: -883.078 where: short stacking energy: -326.520 Base-Backbone interact. energy: 3.199 local terms energy: -347.971928 where: bonds (distance) C4'-P energy: -65.294 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -95.357 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: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1158.015711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.015711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.015711 (E_RNA) where: Base-Base interactions energy: -834.656 where: short stacking energy: -333.318 Base-Backbone interact. energy: -1.267 local terms energy: -322.092865 where: bonds (distance) C4'-P energy: -62.138 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -59.983 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -96.568 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: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1121.692938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.692938 (E_RNA) where: Base-Base interactions energy: -787.157 where: short stacking energy: -332.917 Base-Backbone interact. energy: -0.323 local terms energy: -334.213538 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -70.602 flat angles P-C4'-P energy: -43.145 tors. eta vs tors. theta energy: -102.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1028.047645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.047645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.047645 (E_RNA) where: Base-Base interactions energy: -694.436 where: short stacking energy: -289.556 Base-Backbone interact. energy: -1.149 local terms energy: -332.461995 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -86.830 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: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1011.948527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.948527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.948527 (E_RNA) where: Base-Base interactions energy: -708.215 where: short stacking energy: -262.425 Base-Backbone interact. energy: -0.609 local terms energy: -303.124409 where: bonds (distance) C4'-P energy: -59.440 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -63.497 flat angles P-C4'-P energy: -42.896 tors. eta vs tors. theta energy: -76.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -848.807261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.807261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.807261 (E_RNA) where: Base-Base interactions energy: -548.207 where: short stacking energy: -214.682 Base-Backbone interact. energy: -0.975 local terms energy: -299.625298 where: bonds (distance) C4'-P energy: -57.307 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -61.875 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -69.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -748.075072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.075072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.075072 (E_RNA) where: Base-Base interactions energy: -487.460 where: short stacking energy: -204.403 Base-Backbone interact. energy: -2.146 local terms energy: -258.468133 where: bonds (distance) C4'-P energy: -47.997 bonds (distance) P-C4' energy: -57.347 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -50.853 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: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -604.151488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.151488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.151488 (E_RNA) where: Base-Base interactions energy: -367.397 where: short stacking energy: -162.819 Base-Backbone interact. energy: 2.222 local terms energy: -238.976117 where: bonds (distance) C4'-P energy: -49.165 bonds (distance) P-C4' energy: -65.632 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -37.736 tors. eta vs tors. theta energy: -33.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -554.492622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.492622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.492622 (E_RNA) where: Base-Base interactions energy: -343.095 where: short stacking energy: -168.533 Base-Backbone interact. energy: 1.100 local terms energy: -212.497696 where: bonds (distance) C4'-P energy: -48.994 bonds (distance) P-C4' energy: -57.894 flat angles C4'-P-C4' energy: -38.053 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -26.625 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: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -302.587453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.587453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.587453 (E_RNA) where: Base-Base interactions energy: -128.184 where: short stacking energy: -61.780 Base-Backbone interact. energy: -3.679 local terms energy: -170.724429 where: bonds (distance) C4'-P energy: -59.932 bonds (distance) P-C4' energy: -62.660 flat angles C4'-P-C4' energy: -50.641 flat angles P-C4'-P energy: -22.769 tors. eta vs tors. theta energy: 25.277 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: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1219.200473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.200473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.200473 (E_RNA) where: Base-Base interactions energy: -865.385 where: short stacking energy: -307.734 Base-Backbone interact. energy: -3.070 local terms energy: -350.745225 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -67.679 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -51.159 tors. eta vs tors. theta energy: -91.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1138.200391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.200391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.200391 (E_RNA) where: Base-Base interactions energy: -781.481 where: short stacking energy: -336.144 Base-Backbone interact. energy: -1.387 local terms energy: -355.331893 where: bonds (distance) C4'-P energy: -53.832 bonds (distance) P-C4' energy: -69.214 flat angles C4'-P-C4' energy: -71.961 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: -108.761 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: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1123.516016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.516016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.516016 (E_RNA) where: Base-Base interactions energy: -799.817 where: short stacking energy: -322.966 Base-Backbone interact. energy: -0.119 local terms energy: -323.579902 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -55.617 flat angles C4'-P-C4' energy: -65.311 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -105.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1058.153519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.153519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.153519 (E_RNA) where: Base-Base interactions energy: -743.690 where: short stacking energy: -294.751 Base-Backbone interact. energy: 1.266 local terms energy: -315.729397 where: bonds (distance) C4'-P energy: -68.340 bonds (distance) P-C4' energy: -61.410 flat angles C4'-P-C4' energy: -63.425 flat angles P-C4'-P energy: -41.480 tors. eta vs tors. theta energy: -81.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -999.132016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.132016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.132016 (E_RNA) where: Base-Base interactions energy: -681.407 where: short stacking energy: -279.852 Base-Backbone interact. energy: -1.984 local terms energy: -315.740427 where: bonds (distance) C4'-P energy: -49.734 bonds (distance) P-C4' energy: -65.133 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -41.474 tors. eta vs tors. theta energy: -84.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -862.967359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.967359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.967359 (E_RNA) where: Base-Base interactions energy: -566.337 where: short stacking energy: -261.278 Base-Backbone interact. energy: -0.168 local terms energy: -296.462787 where: bonds (distance) C4'-P energy: -51.043 bonds (distance) P-C4' energy: -53.473 flat angles C4'-P-C4' energy: -67.861 flat angles P-C4'-P energy: -49.325 tors. eta vs tors. theta energy: -74.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -786.963989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.963989 (E_RNA) where: Base-Base interactions energy: -532.526 where: short stacking energy: -217.889 Base-Backbone interact. energy: -0.920 local terms energy: -253.518889 where: bonds (distance) C4'-P energy: -51.402 bonds (distance) P-C4' energy: -55.735 flat angles C4'-P-C4' energy: -59.056 flat angles P-C4'-P energy: -34.240 tors. eta vs tors. theta energy: -53.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -626.337916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.337916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.337916 (E_RNA) where: Base-Base interactions energy: -382.780 where: short stacking energy: -177.256 Base-Backbone interact. energy: -1.472 local terms energy: -242.085361 where: bonds (distance) C4'-P energy: -59.470 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -48.698 flat angles P-C4'-P energy: -32.605 tors. eta vs tors. theta energy: -41.065 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -539.908663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.908663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.908663 (E_RNA) where: Base-Base interactions energy: -309.258 where: short stacking energy: -133.534 Base-Backbone interact. energy: 0.463 local terms energy: -231.113261 where: bonds (distance) C4'-P energy: -59.434 bonds (distance) P-C4' energy: -57.469 flat angles C4'-P-C4' energy: -63.640 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -319.054326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.054326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.054326 (E_RNA) where: Base-Base interactions energy: -145.981 where: short stacking energy: -77.254 Base-Backbone interact. energy: 0.848 local terms energy: -173.921300 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -53.441 flat angles C4'-P-C4' energy: -34.144 flat angles P-C4'-P energy: -32.563 tors. eta vs tors. theta energy: 4.847 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1221.513962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.513962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.513962 (E_RNA) where: Base-Base interactions energy: -874.870 where: short stacking energy: -322.191 Base-Backbone interact. energy: -3.240 local terms energy: -343.403477 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -65.972 flat angles C4'-P-C4' energy: -69.903 flat angles P-C4'-P energy: -48.528 tors. eta vs tors. theta energy: -91.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1142.932497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.932497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.932497 (E_RNA) where: Base-Base interactions energy: -781.438 where: short stacking energy: -315.335 Base-Backbone interact. energy: -0.831 local terms energy: -360.663335 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -70.314 flat angles C4'-P-C4' energy: -71.721 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -103.475 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: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1157.319128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.319128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.319128 (E_RNA) where: Base-Base interactions energy: -823.037 where: short stacking energy: -325.357 Base-Backbone interact. energy: -0.371 local terms energy: -333.910692 where: bonds (distance) C4'-P energy: -55.296 bonds (distance) P-C4' energy: -56.950 flat angles C4'-P-C4' energy: -71.207 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -99.575 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: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1089.562674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.562674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.562674 (E_RNA) where: Base-Base interactions energy: -768.147 where: short stacking energy: -303.399 Base-Backbone interact. energy: -1.092 local terms energy: -320.323536 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -43.475 tors. eta vs tors. theta energy: -91.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -980.027950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.027950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.027950 (E_RNA) where: Base-Base interactions energy: -681.428 where: short stacking energy: -241.976 Base-Backbone interact. energy: -0.762 local terms energy: -297.838281 where: bonds (distance) C4'-P energy: -55.814 bonds (distance) P-C4' energy: -62.000 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -42.409 tors. eta vs tors. theta energy: -71.219 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: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -867.141027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.141027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.141027 (E_RNA) where: Base-Base interactions energy: -580.907 where: short stacking energy: -247.855 Base-Backbone interact. energy: 0.235 local terms energy: -286.469357 where: bonds (distance) C4'-P energy: -53.502 bonds (distance) P-C4' energy: -65.224 flat angles C4'-P-C4' energy: -58.775 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -65.406 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: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -792.229701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.229701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.229701 (E_RNA) where: Base-Base interactions energy: -525.405 where: short stacking energy: -221.892 Base-Backbone interact. energy: 0.659 local terms energy: -267.483008 where: bonds (distance) C4'-P energy: -57.124 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -57.381 flat angles P-C4'-P energy: -38.690 tors. eta vs tors. theta energy: -57.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -635.691701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.691701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.691701 (E_RNA) where: Base-Base interactions energy: -395.553 where: short stacking energy: -180.925 Base-Backbone interact. energy: -1.981 local terms energy: -238.157295 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -61.160 flat angles C4'-P-C4' energy: -51.066 flat angles P-C4'-P energy: -39.810 tors. eta vs tors. theta energy: -33.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -575.066087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.066087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.066087 (E_RNA) where: Base-Base interactions energy: -344.824 where: short stacking energy: -157.259 Base-Backbone interact. energy: 0.682 local terms energy: -230.924986 where: bonds (distance) C4'-P energy: -41.378 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -53.828 flat angles P-C4'-P energy: -42.572 tors. eta vs tors. theta energy: -29.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -248.396945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.396945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.396945 (E_RNA) where: Base-Base interactions energy: -66.831 where: short stacking energy: -59.550 Base-Backbone interact. energy: -1.244 local terms energy: -180.322401 where: bonds (distance) C4'-P energy: -54.075 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -55.631 flat angles P-C4'-P energy: -23.348 tors. eta vs tors. theta energy: 20.866 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1230.688156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.688156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.688156 (E_RNA) where: Base-Base interactions energy: -872.781 where: short stacking energy: -313.983 Base-Backbone interact. energy: -2.929 local terms energy: -354.978654 where: bonds (distance) C4'-P energy: -60.996 bonds (distance) P-C4' energy: -74.668 flat angles C4'-P-C4' energy: -76.464 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -90.471 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: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1176.263391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.263391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.263391 (E_RNA) where: Base-Base interactions energy: -831.605 where: short stacking energy: -323.376 Base-Backbone interact. energy: -0.398 local terms energy: -344.260178 where: bonds (distance) C4'-P energy: -63.326 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -62.271 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -100.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1098.456877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.456877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.456877 (E_RNA) where: Base-Base interactions energy: -754.410 where: short stacking energy: -305.940 Base-Backbone interact. energy: -3.084 local terms energy: -340.962665 where: bonds (distance) C4'-P energy: -59.750 bonds (distance) P-C4' energy: -60.993 flat angles C4'-P-C4' energy: -74.944 flat angles P-C4'-P energy: -52.109 tors. eta vs tors. theta energy: -93.167 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1060.495521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.495521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.495521 (E_RNA) where: Base-Base interactions energy: -763.358 where: short stacking energy: -291.797 Base-Backbone interact. energy: 0.378 local terms energy: -297.515866 where: bonds (distance) C4'-P energy: -56.666 bonds (distance) P-C4' energy: -52.217 flat angles C4'-P-C4' energy: -66.695 flat angles P-C4'-P energy: -37.732 tors. eta vs tors. theta energy: -84.206 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: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1010.499625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.499625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.499625 (E_RNA) where: Base-Base interactions energy: -707.343 where: short stacking energy: -280.984 Base-Backbone interact. energy: 1.887 local terms energy: -305.044244 where: bonds (distance) C4'-P energy: -59.678 bonds (distance) P-C4' energy: -59.629 flat angles C4'-P-C4' energy: -69.656 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -77.973 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: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -866.705193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.705193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.705193 (E_RNA) where: Base-Base interactions energy: -594.891 where: short stacking energy: -242.793 Base-Backbone interact. energy: -0.712 local terms energy: -271.102119 where: bonds (distance) C4'-P energy: -53.990 bonds (distance) P-C4' energy: -51.425 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -30.259 tors. eta vs tors. theta energy: -64.998 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -837.572979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.572979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.572979 (E_RNA) where: Base-Base interactions energy: -536.495 where: short stacking energy: -232.857 Base-Backbone interact. energy: 1.046 local terms energy: -302.123852 where: bonds (distance) C4'-P energy: -61.606 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -66.918 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -64.917 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: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -678.965183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.965183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.965183 (E_RNA) where: Base-Base interactions energy: -412.337 where: short stacking energy: -182.153 Base-Backbone interact. energy: -1.709 local terms energy: -264.919250 where: bonds (distance) C4'-P energy: -53.859 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -51.179 flat angles P-C4'-P energy: -47.195 tors. eta vs tors. theta energy: -46.738 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: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -582.686973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.686973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.686973 (E_RNA) where: Base-Base interactions energy: -359.424 where: short stacking energy: -157.406 Base-Backbone interact. energy: 2.259 local terms energy: -225.521979 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -49.432 flat angles C4'-P-C4' energy: -50.609 flat angles P-C4'-P energy: -36.976 tors. eta vs tors. theta energy: -34.264 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: 10, replica: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -271.686884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.686884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.686884 (E_RNA) where: Base-Base interactions energy: -76.549 where: short stacking energy: -63.594 Base-Backbone interact. energy: 3.089 local terms energy: -198.226995 where: bonds (distance) C4'-P energy: -52.302 bonds (distance) P-C4' energy: -65.779 flat angles C4'-P-C4' energy: -54.880 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: 15.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1191.314774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.314774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.314774 (E_RNA) where: Base-Base interactions energy: -844.608 where: short stacking energy: -339.599 Base-Backbone interact. energy: -1.932 local terms energy: -344.774456 where: bonds (distance) C4'-P energy: -64.714 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -95.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1221.545267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.545267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.545267 (E_RNA) where: Base-Base interactions energy: -874.340 where: short stacking energy: -321.630 Base-Backbone interact. energy: -2.461 local terms energy: -344.744492 where: bonds (distance) C4'-P energy: -64.505 bonds (distance) P-C4' energy: -62.118 flat angles C4'-P-C4' energy: -77.596 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -98.974 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: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1089.812890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.812890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.812890 (E_RNA) where: Base-Base interactions energy: -760.041 where: short stacking energy: -306.301 Base-Backbone interact. energy: -0.048 local terms energy: -329.724252 where: bonds (distance) C4'-P energy: -64.630 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -72.952 flat angles P-C4'-P energy: -39.990 tors. eta vs tors. theta energy: -93.211 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: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1069.091082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.091082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.091082 (E_RNA) where: Base-Base interactions energy: -742.049 where: short stacking energy: -316.818 Base-Backbone interact. energy: -0.659 local terms energy: -326.383273 where: bonds (distance) C4'-P energy: -57.410 bonds (distance) P-C4' energy: -52.454 flat angles C4'-P-C4' energy: -71.257 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -96.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1029.670983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.670983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.670983 (E_RNA) where: Base-Base interactions energy: -714.041 where: short stacking energy: -273.991 Base-Backbone interact. energy: -1.112 local terms energy: -314.517570 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -58.946 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -86.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -820.975503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.975503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.975503 (E_RNA) where: Base-Base interactions energy: -559.201 where: short stacking energy: -217.073 Base-Backbone interact. energy: 4.956 local terms energy: -266.730435 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -53.830 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -52.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -819.366147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.366147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.366147 (E_RNA) where: Base-Base interactions energy: -560.566 where: short stacking energy: -229.158 Base-Backbone interact. energy: -1.357 local terms energy: -257.442748 where: bonds (distance) C4'-P energy: -45.281 bonds (distance) P-C4' energy: -62.566 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -30.659 tors. eta vs tors. theta energy: -54.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -711.373458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.373458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.373458 (E_RNA) where: Base-Base interactions energy: -455.271 where: short stacking energy: -193.559 Base-Backbone interact. energy: 2.326 local terms energy: -258.428337 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -57.025 flat angles P-C4'-P energy: -34.344 tors. eta vs tors. theta energy: -41.476 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: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -679.106349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.106349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.106349 (E_RNA) where: Base-Base interactions energy: -429.407 where: short stacking energy: -183.700 Base-Backbone interact. energy: 1.417 local terms energy: -251.117019 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -50.757 flat angles C4'-P-C4' energy: -55.869 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -41.365 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: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -330.056791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.056791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.056791 (E_RNA) where: Base-Base interactions energy: -160.019 where: short stacking energy: -97.769 Base-Backbone interact. energy: -2.067 local terms energy: -167.970656 where: bonds (distance) C4'-P energy: -49.382 bonds (distance) P-C4' energy: -59.115 flat angles C4'-P-C4' energy: -42.041 flat angles P-C4'-P energy: -28.603 tors. eta vs tors. theta energy: 11.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1174.929240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.929240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.929240 (E_RNA) where: Base-Base interactions energy: -818.497 where: short stacking energy: -311.382 Base-Backbone interact. energy: -1.732 local terms energy: -354.699602 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -54.348 tors. eta vs tors. theta energy: -92.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1221.542661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.542661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.542661 (E_RNA) where: Base-Base interactions energy: -858.787 where: short stacking energy: -332.240 Base-Backbone interact. energy: -2.513 local terms energy: -360.242983 where: bonds (distance) C4'-P energy: -67.484 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -79.265 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -98.783 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: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1095.473167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.473167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.473167 (E_RNA) where: Base-Base interactions energy: -761.682 where: short stacking energy: -307.206 Base-Backbone interact. energy: -2.493 local terms energy: -331.298199 where: bonds (distance) C4'-P energy: -72.573 bonds (distance) P-C4' energy: -56.367 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -93.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1082.862638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.862638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.862638 (E_RNA) where: Base-Base interactions energy: -762.555 where: short stacking energy: -301.876 Base-Backbone interact. energy: -0.329 local terms energy: -319.978723 where: bonds (distance) C4'-P energy: -58.118 bonds (distance) P-C4' energy: -54.722 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -52.678 tors. eta vs tors. theta energy: -90.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -999.847409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.847409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.847409 (E_RNA) where: Base-Base interactions energy: -703.294 where: short stacking energy: -274.132 Base-Backbone interact. energy: -0.255 local terms energy: -296.298169 where: bonds (distance) C4'-P energy: -57.567 bonds (distance) P-C4' energy: -58.450 flat angles C4'-P-C4' energy: -55.042 flat angles P-C4'-P energy: -41.901 tors. eta vs tors. theta energy: -83.338 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: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -769.947904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.947904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.947904 (E_RNA) where: Base-Base interactions energy: -515.693 where: short stacking energy: -221.360 Base-Backbone interact. energy: 0.475 local terms energy: -254.730225 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -61.584 flat angles C4'-P-C4' energy: -58.056 flat angles P-C4'-P energy: -35.988 tors. eta vs tors. theta energy: -48.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -833.559442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.559442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.559442 (E_RNA) where: Base-Base interactions energy: -558.747 where: short stacking energy: -228.005 Base-Backbone interact. energy: 0.458 local terms energy: -275.270755 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -55.082 flat angles P-C4'-P energy: -40.711 tors. eta vs tors. theta energy: -64.419 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: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -717.244821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.244821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.244821 (E_RNA) where: Base-Base interactions energy: -462.940 where: short stacking energy: -185.878 Base-Backbone interact. energy: 1.644 local terms energy: -255.948583 where: bonds (distance) C4'-P energy: -44.060 bonds (distance) P-C4' energy: -61.264 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -36.523 tors. eta vs tors. theta energy: -54.091 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: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -572.876277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.876277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.876277 (E_RNA) where: Base-Base interactions energy: -348.764 where: short stacking energy: -167.552 Base-Backbone interact. energy: -1.153 local terms energy: -222.960107 where: bonds (distance) C4'-P energy: -42.421 bonds (distance) P-C4' energy: -58.509 flat angles C4'-P-C4' energy: -56.851 flat angles P-C4'-P energy: -36.693 tors. eta vs tors. theta energy: -28.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -330.878069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.878069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.878069 (E_RNA) where: Base-Base interactions energy: -155.456 where: short stacking energy: -104.860 Base-Backbone interact. energy: -3.120 local terms energy: -172.301417 where: bonds (distance) C4'-P energy: -54.841 bonds (distance) P-C4' energy: -46.434 flat angles C4'-P-C4' energy: -48.056 flat angles P-C4'-P energy: -26.358 tors. eta vs tors. theta energy: 3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1250.665946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.665946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.665946 (E_RNA) where: Base-Base interactions energy: -882.693 where: short stacking energy: -323.990 Base-Backbone interact. energy: -0.938 local terms energy: -367.034558 where: bonds (distance) C4'-P energy: -70.210 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -79.203 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -97.251 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: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1160.600157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.600157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.600157 (E_RNA) where: Base-Base interactions energy: -797.065 where: short stacking energy: -308.292 Base-Backbone interact. energy: -0.039 local terms energy: -363.496476 where: bonds (distance) C4'-P energy: -63.224 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -80.114 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -92.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1120.470142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.470142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.470142 (E_RNA) where: Base-Base interactions energy: -789.896 where: short stacking energy: -298.897 Base-Backbone interact. energy: -2.375 local terms energy: -328.198944 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -72.368 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: -90.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1075.059642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.059642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.059642 (E_RNA) where: Base-Base interactions energy: -749.869 where: short stacking energy: -309.416 Base-Backbone interact. energy: -1.073 local terms energy: -324.117468 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -67.872 flat angles P-C4'-P energy: -50.624 tors. eta vs tors. theta energy: -87.037 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: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -984.704764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.704764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.704764 (E_RNA) where: Base-Base interactions energy: -678.644 where: short stacking energy: -268.704 Base-Backbone interact. energy: -1.135 local terms energy: -304.925786 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -59.774 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -38.657 tors. eta vs tors. theta energy: -71.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -831.313945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.313945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.313945 (E_RNA) where: Base-Base interactions energy: -551.715 where: short stacking energy: -216.944 Base-Backbone interact. energy: 0.939 local terms energy: -280.537884 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -50.348 flat angles P-C4'-P energy: -42.557 tors. eta vs tors. theta energy: -60.599 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: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -817.022310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.022310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.022310 (E_RNA) where: Base-Base interactions energy: -561.418 where: short stacking energy: -220.809 Base-Backbone interact. energy: -0.302 local terms energy: -255.302060 where: bonds (distance) C4'-P energy: -47.744 bonds (distance) P-C4' energy: -59.027 flat angles C4'-P-C4' energy: -59.769 flat angles P-C4'-P energy: -31.371 tors. eta vs tors. theta energy: -57.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -745.646346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.646346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.646346 (E_RNA) where: Base-Base interactions energy: -483.212 where: short stacking energy: -206.722 Base-Backbone interact. energy: 0.850 local terms energy: -263.284486 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -57.329 flat angles C4'-P-C4' energy: -55.002 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: -52.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -622.510096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.510096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.510096 (E_RNA) where: Base-Base interactions energy: -373.923 where: short stacking energy: -185.316 Base-Backbone interact. energy: -0.624 local terms energy: -247.963034 where: bonds (distance) C4'-P energy: -42.636 bonds (distance) P-C4' energy: -57.231 flat angles C4'-P-C4' energy: -57.461 flat angles P-C4'-P energy: -50.592 tors. eta vs tors. theta energy: -40.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -261.605337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.605337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.605337 (E_RNA) where: Base-Base interactions energy: -99.197 where: short stacking energy: -89.761 Base-Backbone interact. energy: 3.684 local terms energy: -166.092374 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -41.512 flat angles P-C4'-P energy: -30.015 tors. eta vs tors. theta energy: 18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1234.657383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.657383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.657383 (E_RNA) where: Base-Base interactions energy: -873.124 where: short stacking energy: -313.139 Base-Backbone interact. energy: -4.471 local terms energy: -357.063014 where: bonds (distance) C4'-P energy: -70.001 bonds (distance) P-C4' energy: -69.416 flat angles C4'-P-C4' energy: -70.774 flat angles P-C4'-P energy: -54.935 tors. eta vs tors. theta energy: -91.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1130.949626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.949626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.949626 (E_RNA) where: Base-Base interactions energy: -795.268 where: short stacking energy: -323.561 Base-Backbone interact. energy: -0.093 local terms energy: -335.588573 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -67.432 flat angles C4'-P-C4' energy: -73.886 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -92.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1113.324831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.324831 (E_RNA) where: Base-Base interactions energy: -779.501 where: short stacking energy: -306.665 Base-Backbone interact. energy: -0.050 local terms energy: -333.773729 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -65.847 flat angles C4'-P-C4' energy: -66.193 flat angles P-C4'-P energy: -42.008 tors. eta vs tors. theta energy: -97.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1055.561275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.561275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.561275 (E_RNA) where: Base-Base interactions energy: -739.317 where: short stacking energy: -299.848 Base-Backbone interact. energy: -2.064 local terms energy: -314.179949 where: bonds (distance) C4'-P energy: -51.103 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -41.353 tors. eta vs tors. theta energy: -91.502 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: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1004.715918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.715918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.715918 (E_RNA) where: Base-Base interactions energy: -677.508 where: short stacking energy: -293.018 Base-Backbone interact. energy: -0.495 local terms energy: -326.713203 where: bonds (distance) C4'-P energy: -61.753 bonds (distance) P-C4' energy: -62.533 flat angles C4'-P-C4' energy: -60.823 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -93.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -860.884998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.884998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.884998 (E_RNA) where: Base-Base interactions energy: -561.874 where: short stacking energy: -237.383 Base-Backbone interact. energy: -1.664 local terms energy: -297.346448 where: bonds (distance) C4'-P energy: -64.005 bonds (distance) P-C4' energy: -61.572 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -38.181 tors. eta vs tors. theta energy: -68.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -863.389712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.389712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.389712 (E_RNA) where: Base-Base interactions energy: -570.298 where: short stacking energy: -230.143 Base-Backbone interact. energy: 1.651 local terms energy: -294.742149 where: bonds (distance) C4'-P energy: -66.439 bonds (distance) P-C4' energy: -64.841 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -38.921 tors. eta vs tors. theta energy: -61.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -739.153404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.153404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.153404 (E_RNA) where: Base-Base interactions energy: -470.885 where: short stacking energy: -213.609 Base-Backbone interact. energy: -1.006 local terms energy: -267.262185 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -58.617 flat angles C4'-P-C4' energy: -57.673 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -53.280 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: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -563.762760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.762760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.762760 (E_RNA) where: Base-Base interactions energy: -342.679 where: short stacking energy: -157.156 Base-Backbone interact. energy: 4.307 local terms energy: -225.390601 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -53.368 flat angles P-C4'-P energy: -42.930 tors. eta vs tors. theta energy: -17.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -288.047827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.047827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.047827 (E_RNA) where: Base-Base interactions energy: -103.570 where: short stacking energy: -96.519 Base-Backbone interact. energy: 4.504 local terms energy: -188.981889 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -56.231 flat angles C4'-P-C4' energy: -53.517 flat angles P-C4'-P energy: -27.803 tors. eta vs tors. theta energy: 5.694 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1231.349959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.349959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.349959 (E_RNA) where: Base-Base interactions energy: -873.039 where: short stacking energy: -323.620 Base-Backbone interact. energy: -3.066 local terms energy: -355.245069 where: bonds (distance) C4'-P energy: -64.396 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -76.584 flat angles P-C4'-P energy: -51.460 tors. eta vs tors. theta energy: -95.151 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: 186 Temperature: 0.950000 Total energy: -1153.599119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.599119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.599119 (E_RNA) where: Base-Base interactions energy: -811.626 where: short stacking energy: -329.471 Base-Backbone interact. energy: 1.302 local terms energy: -343.275626 where: bonds (distance) C4'-P energy: -64.215 bonds (distance) P-C4' energy: -55.607 flat angles C4'-P-C4' energy: -73.631 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -94.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1057.368508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.368508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.368508 (E_RNA) where: Base-Base interactions energy: -732.041 where: short stacking energy: -285.880 Base-Backbone interact. energy: -1.829 local terms energy: -323.498549 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -70.017 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -81.018 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: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1082.190901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.190901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.190901 (E_RNA) where: Base-Base interactions energy: -745.526 where: short stacking energy: -324.005 Base-Backbone interact. energy: -1.636 local terms energy: -335.029403 where: bonds (distance) C4'-P energy: -59.334 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -70.981 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -94.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -948.434220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.434220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.434220 (E_RNA) where: Base-Base interactions energy: -649.213 where: short stacking energy: -255.857 Base-Backbone interact. energy: -0.660 local terms energy: -298.561387 where: bonds (distance) C4'-P energy: -48.633 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -61.800 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -76.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -853.223895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.223895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.223895 (E_RNA) where: Base-Base interactions energy: -572.887 where: short stacking energy: -239.337 Base-Backbone interact. energy: -1.251 local terms energy: -279.085960 where: bonds (distance) C4'-P energy: -47.010 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -63.352 flat angles P-C4'-P energy: -43.231 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: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -860.232975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.232975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.232975 (E_RNA) where: Base-Base interactions energy: -584.285 where: short stacking energy: -242.711 Base-Backbone interact. energy: -0.240 local terms energy: -275.708449 where: bonds (distance) C4'-P energy: -56.921 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -41.104 tors. eta vs tors. theta energy: -64.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -737.347195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.347195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.347195 (E_RNA) where: Base-Base interactions energy: -470.263 where: short stacking energy: -208.380 Base-Backbone interact. energy: 1.723 local terms energy: -268.806739 where: bonds (distance) C4'-P energy: -56.015 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -56.409 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -52.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -559.566634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.566634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.566634 (E_RNA) where: Base-Base interactions energy: -333.243 where: short stacking energy: -156.738 Base-Backbone interact. energy: -2.211 local terms energy: -224.112246 where: bonds (distance) C4'-P energy: -47.737 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -51.532 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -24.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -275.918228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.918228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.918228 (E_RNA) where: Base-Base interactions energy: -102.010 where: short stacking energy: -73.816 Base-Backbone interact. energy: -1.069 local terms energy: -172.839452 where: bonds (distance) C4'-P energy: -41.944 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -49.243 flat angles P-C4'-P energy: -21.853 tors. eta vs tors. theta energy: 1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1218.004454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.004454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.004454 (E_RNA) where: Base-Base interactions energy: -842.943 where: short stacking energy: -334.483 Base-Backbone interact. energy: 2.104 local terms energy: -377.165935 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -72.087 flat angles C4'-P-C4' energy: -74.911 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -104.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1134.438162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.438162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.438162 (E_RNA) where: Base-Base interactions energy: -799.105 where: short stacking energy: -318.336 Base-Backbone interact. energy: -0.808 local terms energy: -334.524682 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -61.955 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: -89.604 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1074.820405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.820405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.820405 (E_RNA) where: Base-Base interactions energy: -760.307 where: short stacking energy: -286.796 Base-Backbone interact. energy: -2.393 local terms energy: -312.120526 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -62.719 flat angles C4'-P-C4' energy: -72.571 flat angles P-C4'-P energy: -42.451 tors. eta vs tors. theta energy: -77.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1097.744704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.744704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.744704 (E_RNA) where: Base-Base interactions energy: -759.864 where: short stacking energy: -300.186 Base-Backbone interact. energy: -2.223 local terms energy: -335.658225 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -63.630 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -92.944 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: 187 Temperature: 1.100000 Total energy: -998.198275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.198275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.198275 (E_RNA) where: Base-Base interactions energy: -678.952 where: short stacking energy: -269.977 Base-Backbone interact. energy: -1.620 local terms energy: -317.626203 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -68.117 flat angles C4'-P-C4' energy: -73.682 flat angles P-C4'-P energy: -36.092 tors. eta vs tors. theta energy: -80.677 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: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -857.827239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.827239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.827239 (E_RNA) where: Base-Base interactions energy: -570.536 where: short stacking energy: -230.997 Base-Backbone interact. energy: -1.009 local terms energy: -286.282216 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -63.842 flat angles C4'-P-C4' energy: -62.307 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: -62.082 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: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -839.335388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.335388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.335388 (E_RNA) where: Base-Base interactions energy: -577.262 where: short stacking energy: -238.690 Base-Backbone interact. energy: 2.483 local terms energy: -264.555853 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -60.376 flat angles C4'-P-C4' energy: -54.880 flat angles P-C4'-P energy: -25.643 tors. eta vs tors. theta energy: -66.413 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: 4 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -716.707480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.707480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.707480 (E_RNA) where: Base-Base interactions energy: -494.808 where: short stacking energy: -212.120 Base-Backbone interact. energy: 0.182 local terms energy: -222.081029 where: bonds (distance) C4'-P energy: -48.654 bonds (distance) P-C4' energy: -49.981 flat angles C4'-P-C4' energy: -45.631 flat angles P-C4'-P energy: -33.117 tors. eta vs tors. theta energy: -44.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -565.089002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.089002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.089002 (E_RNA) where: Base-Base interactions energy: -351.117 where: short stacking energy: -153.200 Base-Backbone interact. energy: 0.417 local terms energy: -214.388226 where: bonds (distance) C4'-P energy: -60.252 bonds (distance) P-C4' energy: -59.445 flat angles C4'-P-C4' energy: -43.832 flat angles P-C4'-P energy: -29.089 tors. eta vs tors. theta energy: -21.770 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: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -283.749376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.749376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.749376 (E_RNA) where: Base-Base interactions energy: -102.124 where: short stacking energy: -90.325 Base-Backbone interact. energy: 1.860 local terms energy: -183.485386 where: bonds (distance) C4'-P energy: -50.694 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -43.326 flat angles P-C4'-P energy: -30.160 tors. eta vs tors. theta energy: 0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1213.206381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.206381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.206381 (E_RNA) where: Base-Base interactions energy: -860.451 where: short stacking energy: -343.690 Base-Backbone interact. energy: -1.519 local terms energy: -351.236676 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -75.808 flat angles P-C4'-P energy: -45.110 tors. eta vs tors. theta energy: -97.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1147.454500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.454500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.454500 (E_RNA) where: Base-Base interactions energy: -803.964 where: short stacking energy: -311.128 Base-Backbone interact. energy: 0.400 local terms energy: -343.890836 where: bonds (distance) C4'-P energy: -55.618 bonds (distance) P-C4' energy: -66.258 flat angles C4'-P-C4' energy: -75.868 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: -94.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1099.749116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.749116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.749116 (E_RNA) where: Base-Base interactions energy: -774.585 where: short stacking energy: -305.468 Base-Backbone interact. energy: -0.635 local terms energy: -324.528786 where: bonds (distance) C4'-P energy: -62.237 bonds (distance) P-C4' energy: -61.685 flat angles C4'-P-C4' energy: -70.240 flat angles P-C4'-P energy: -37.911 tors. eta vs tors. theta energy: -92.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1074.148820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.148820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.148820 (E_RNA) where: Base-Base interactions energy: -743.565 where: short stacking energy: -298.384 Base-Backbone interact. energy: -0.606 local terms energy: -329.977675 where: bonds (distance) C4'-P energy: -55.428 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -100.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -986.869829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.869829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.869829 (E_RNA) where: Base-Base interactions energy: -675.070 where: short stacking energy: -287.748 Base-Backbone interact. energy: -0.790 local terms energy: -311.009665 where: bonds (distance) C4'-P energy: -65.084 bonds (distance) P-C4' energy: -52.134 flat angles C4'-P-C4' energy: -67.079 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -82.025 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: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -861.934060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.934060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.934060 (E_RNA) where: Base-Base interactions energy: -595.314 where: short stacking energy: -243.826 Base-Backbone interact. energy: -1.845 local terms energy: -264.775220 where: bonds (distance) C4'-P energy: -52.151 bonds (distance) P-C4' energy: -58.390 flat angles C4'-P-C4' energy: -56.747 flat angles P-C4'-P energy: -34.615 tors. eta vs tors. theta energy: -62.872 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: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -829.720324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.720324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.720324 (E_RNA) where: Base-Base interactions energy: -539.125 where: short stacking energy: -220.818 Base-Backbone interact. energy: -0.832 local terms energy: -289.763550 where: bonds (distance) C4'-P energy: -57.343 bonds (distance) P-C4' energy: -69.227 flat angles C4'-P-C4' energy: -61.226 flat angles P-C4'-P energy: -45.653 tors. eta vs tors. theta energy: -56.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -719.718044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.718044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.718044 (E_RNA) where: Base-Base interactions energy: -485.863 where: short stacking energy: -203.608 Base-Backbone interact. energy: 0.708 local terms energy: -234.562548 where: bonds (distance) C4'-P energy: -45.057 bonds (distance) P-C4' energy: -49.240 flat angles C4'-P-C4' energy: -61.777 flat angles P-C4'-P energy: -34.199 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: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -539.742862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.742862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.742862 (E_RNA) where: Base-Base interactions energy: -334.829 where: short stacking energy: -161.253 Base-Backbone interact. energy: -0.579 local terms energy: -204.334860 where: bonds (distance) C4'-P energy: -50.991 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -42.263 flat angles P-C4'-P energy: -31.156 tors. eta vs tors. theta energy: -25.287 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: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -285.727777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.727777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.727777 (E_RNA) where: Base-Base interactions energy: -98.371 where: short stacking energy: -73.671 Base-Backbone interact. energy: -1.112 local terms energy: -186.244423 where: bonds (distance) C4'-P energy: -50.399 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -47.909 flat angles P-C4'-P energy: -31.441 tors. eta vs tors. theta energy: 5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1206.798810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.798810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.798810 (E_RNA) where: Base-Base interactions energy: -849.124 where: short stacking energy: -331.715 Base-Backbone interact. energy: -1.625 local terms energy: -356.049493 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -64.637 flat angles C4'-P-C4' energy: -75.658 flat angles P-C4'-P energy: -41.611 tors. eta vs tors. theta energy: -101.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1150.838017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.838017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.838017 (E_RNA) where: Base-Base interactions energy: -804.740 where: short stacking energy: -312.813 Base-Backbone interact. energy: -0.787 local terms energy: -345.310675 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -72.282 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -91.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1068.034078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.034078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.034078 (E_RNA) where: Base-Base interactions energy: -733.781 where: short stacking energy: -279.469 Base-Backbone interact. energy: -1.390 local terms energy: -332.862963 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -69.233 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -84.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1069.288213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.288213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.288213 (E_RNA) where: Base-Base interactions energy: -748.020 where: short stacking energy: -291.210 Base-Backbone interact. energy: -2.539 local terms energy: -318.728884 where: bonds (distance) C4'-P energy: -51.692 bonds (distance) P-C4' energy: -58.788 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -52.334 tors. eta vs tors. theta energy: -86.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -989.965540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.965540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.965540 (E_RNA) where: Base-Base interactions energy: -692.880 where: short stacking energy: -269.237 Base-Backbone interact. energy: 3.494 local terms energy: -300.579652 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -60.728 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -74.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -824.230026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.230026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.230026 (E_RNA) where: Base-Base interactions energy: -545.121 where: short stacking energy: -230.370 Base-Backbone interact. energy: -0.254 local terms energy: -278.854476 where: bonds (distance) C4'-P energy: -63.090 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -35.772 tors. eta vs tors. theta energy: -66.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -811.702425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.702425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.702425 (E_RNA) where: Base-Base interactions energy: -523.205 where: short stacking energy: -216.467 Base-Backbone interact. energy: -2.343 local terms energy: -286.154319 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -55.633 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: -63.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -771.632287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.632287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.632287 (E_RNA) where: Base-Base interactions energy: -504.600 where: short stacking energy: -211.602 Base-Backbone interact. energy: 0.829 local terms energy: -267.860659 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -56.565 flat angles C4'-P-C4' energy: -57.070 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -47.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -545.046898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.046898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.046898 (E_RNA) where: Base-Base interactions energy: -338.162 where: short stacking energy: -151.350 Base-Backbone interact. energy: 0.314 local terms energy: -207.198665 where: bonds (distance) C4'-P energy: -47.576 bonds (distance) P-C4' energy: -54.953 flat angles C4'-P-C4' energy: -44.324 flat angles P-C4'-P energy: -26.958 tors. eta vs tors. theta energy: -33.388 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: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -275.003991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.003991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.003991 (E_RNA) where: Base-Base interactions energy: -97.755 where: short stacking energy: -77.544 Base-Backbone interact. energy: 1.282 local terms energy: -178.530436 where: bonds (distance) C4'-P energy: -51.354 bonds (distance) P-C4' energy: -57.139 flat angles C4'-P-C4' energy: -46.900 flat angles P-C4'-P energy: -24.599 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: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1229.965503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.965503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.965503 (E_RNA) where: Base-Base interactions energy: -869.425 where: short stacking energy: -323.397 Base-Backbone interact. energy: -1.771 local terms energy: -358.768789 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -77.009 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: -98.616 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: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1163.331530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.331530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.331530 (E_RNA) where: Base-Base interactions energy: -821.748 where: short stacking energy: -326.887 Base-Backbone interact. energy: -0.337 local terms energy: -341.246578 where: bonds (distance) C4'-P energy: -52.873 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -78.362 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -100.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1073.749893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.749893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.749893 (E_RNA) where: Base-Base interactions energy: -740.061 where: short stacking energy: -304.220 Base-Backbone interact. energy: -1.191 local terms energy: -332.497394 where: bonds (distance) C4'-P energy: -59.062 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -71.883 flat angles P-C4'-P energy: -52.310 tors. eta vs tors. theta energy: -85.268 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: 5 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1095.352471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.352471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.352471 (E_RNA) where: Base-Base interactions energy: -771.137 where: short stacking energy: -304.145 Base-Backbone interact. energy: -2.154 local terms energy: -322.060498 where: bonds (distance) C4'-P energy: -53.474 bonds (distance) P-C4' energy: -53.458 flat angles C4'-P-C4' energy: -68.619 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -95.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -963.616306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.616306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.616306 (E_RNA) where: Base-Base interactions energy: -652.529 where: short stacking energy: -268.134 Base-Backbone interact. energy: -0.345 local terms energy: -310.742166 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -80.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -827.194900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.194900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.194900 (E_RNA) where: Base-Base interactions energy: -547.663 where: short stacking energy: -241.277 Base-Backbone interact. energy: -0.527 local terms energy: -279.004882 where: bonds (distance) C4'-P energy: -52.468 bonds (distance) P-C4' energy: -50.333 flat angles C4'-P-C4' energy: -72.460 flat angles P-C4'-P energy: -40.724 tors. eta vs tors. theta energy: -63.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -830.437368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.437368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.437368 (E_RNA) where: Base-Base interactions energy: -555.434 where: short stacking energy: -217.400 Base-Backbone interact. energy: -0.429 local terms energy: -274.574354 where: bonds (distance) C4'-P energy: -57.992 bonds (distance) P-C4' energy: -54.233 flat angles C4'-P-C4' energy: -53.886 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -60.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -759.419026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.419026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.419026 (E_RNA) where: Base-Base interactions energy: -511.967 where: short stacking energy: -210.634 Base-Backbone interact. energy: -1.137 local terms energy: -246.315372 where: bonds (distance) C4'-P energy: -53.502 bonds (distance) P-C4' energy: -45.630 flat angles C4'-P-C4' energy: -53.139 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -56.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -562.967568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.967568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.967568 (E_RNA) where: Base-Base interactions energy: -339.416 where: short stacking energy: -158.926 Base-Backbone interact. energy: -1.319 local terms energy: -222.232981 where: bonds (distance) C4'-P energy: -47.724 bonds (distance) P-C4' energy: -61.014 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -24.609 tors. eta vs tors. theta energy: -26.758 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -289.771650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.771650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.771650 (E_RNA) where: Base-Base interactions energy: -136.693 where: short stacking energy: -81.394 Base-Backbone interact. energy: -1.576 local terms energy: -151.502163 where: bonds (distance) C4'-P energy: -49.695 bonds (distance) P-C4' energy: -41.426 flat angles C4'-P-C4' energy: -36.605 flat angles P-C4'-P energy: -37.289 tors. eta vs tors. theta energy: 13.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1234.803924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.803924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.803924 (E_RNA) where: Base-Base interactions energy: -869.995 where: short stacking energy: -334.080 Base-Backbone interact. energy: 1.103 local terms energy: -365.911708 where: bonds (distance) C4'-P energy: -74.222 bonds (distance) P-C4' energy: -72.710 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -101.356 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: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1138.137967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.137967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.137967 (E_RNA) where: Base-Base interactions energy: -795.514 where: short stacking energy: -307.305 Base-Backbone interact. energy: 0.687 local terms energy: -343.310903 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -67.714 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: -93.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1078.763539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.763539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.763539 (E_RNA) where: Base-Base interactions energy: -752.871 where: short stacking energy: -297.413 Base-Backbone interact. energy: 3.142 local terms energy: -329.034543 where: bonds (distance) C4'-P energy: -66.561 bonds (distance) P-C4' energy: -68.404 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -77.529 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: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1111.043246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.043246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.043246 (E_RNA) where: Base-Base interactions energy: -793.803 where: short stacking energy: -305.458 Base-Backbone interact. energy: -3.439 local terms energy: -313.801750 where: bonds (distance) C4'-P energy: -50.471 bonds (distance) P-C4' energy: -56.690 flat angles C4'-P-C4' energy: -70.394 flat angles P-C4'-P energy: -44.287 tors. eta vs tors. theta energy: -91.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -989.994494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.994494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.994494 (E_RNA) where: Base-Base interactions energy: -692.035 where: short stacking energy: -285.194 Base-Backbone interact. energy: 0.252 local terms energy: -298.211939 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -55.453 flat angles P-C4'-P energy: -35.094 tors. eta vs tors. theta energy: -85.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -873.144597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.144597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.144597 (E_RNA) where: Base-Base interactions energy: -577.659 where: short stacking energy: -252.532 Base-Backbone interact. energy: -0.284 local terms energy: -295.201667 where: bonds (distance) C4'-P energy: -57.245 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -59.569 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -71.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -834.313812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.313812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.313812 (E_RNA) where: Base-Base interactions energy: -564.825 where: short stacking energy: -231.549 Base-Backbone interact. energy: 2.540 local terms energy: -272.028085 where: bonds (distance) C4'-P energy: -55.552 bonds (distance) P-C4' energy: -54.791 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -33.499 tors. eta vs tors. theta energy: -63.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -748.665254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.665254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.665254 (E_RNA) where: Base-Base interactions energy: -483.295 where: short stacking energy: -219.928 Base-Backbone interact. energy: -0.830 local terms energy: -264.540203 where: bonds (distance) C4'-P energy: -44.392 bonds (distance) P-C4' energy: -70.227 flat angles C4'-P-C4' energy: -53.839 flat angles P-C4'-P energy: -41.797 tors. eta vs tors. theta energy: -54.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -539.449565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.449565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.449565 (E_RNA) where: Base-Base interactions energy: -318.903 where: short stacking energy: -155.939 Base-Backbone interact. energy: -0.962 local terms energy: -219.583672 where: bonds (distance) C4'-P energy: -63.190 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -47.799 flat angles P-C4'-P energy: -25.576 tors. eta vs tors. theta energy: -20.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -350.347377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.347377 (E_RNA) where: Base-Base interactions energy: -153.986 where: short stacking energy: -99.302 Base-Backbone interact. energy: 1.892 local terms energy: -198.253048 where: bonds (distance) C4'-P energy: -59.999 bonds (distance) P-C4' energy: -61.778 flat angles C4'-P-C4' energy: -48.253 flat angles P-C4'-P energy: -21.984 tors. eta vs tors. theta energy: -6.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1200.731161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.731161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.731161 (E_RNA) where: Base-Base interactions energy: -850.246 where: short stacking energy: -334.499 Base-Backbone interact. energy: -1.471 local terms energy: -349.014831 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -64.222 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -48.077 tors. eta vs tors. theta energy: -100.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1145.101890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.101890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.101890 (E_RNA) where: Base-Base interactions energy: -813.997 where: short stacking energy: -312.451 Base-Backbone interact. energy: 0.396 local terms energy: -331.500726 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -71.200 flat angles P-C4'-P energy: -42.641 tors. eta vs tors. theta energy: -93.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1081.723223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.723223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.723223 (E_RNA) where: Base-Base interactions energy: -761.524 where: short stacking energy: -298.924 Base-Backbone interact. energy: -1.295 local terms energy: -318.903734 where: bonds (distance) C4'-P energy: -68.174 bonds (distance) P-C4' energy: -58.027 flat angles C4'-P-C4' energy: -68.764 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -86.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1107.223551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.223551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.223551 (E_RNA) where: Base-Base interactions energy: -760.601 where: short stacking energy: -308.714 Base-Backbone interact. energy: -1.951 local terms energy: -344.671869 where: bonds (distance) C4'-P energy: -62.300 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -73.027 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -98.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -935.263793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.263793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.263793 (E_RNA) where: Base-Base interactions energy: -625.282 where: short stacking energy: -275.527 Base-Backbone interact. energy: -1.796 local terms energy: -308.185934 where: bonds (distance) C4'-P energy: -68.796 bonds (distance) P-C4' energy: -57.869 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -39.095 tors. eta vs tors. theta energy: -78.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -878.346050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.346050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.346050 (E_RNA) where: Base-Base interactions energy: -597.516 where: short stacking energy: -255.116 Base-Backbone interact. energy: 1.501 local terms energy: -282.330612 where: bonds (distance) C4'-P energy: -48.916 bonds (distance) P-C4' energy: -54.328 flat angles C4'-P-C4' energy: -68.187 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -68.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -815.327895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.327895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.327895 (E_RNA) where: Base-Base interactions energy: -535.877 where: short stacking energy: -227.490 Base-Backbone interact. energy: -0.453 local terms energy: -278.998155 where: bonds (distance) C4'-P energy: -52.031 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -65.370 flat angles P-C4'-P energy: -41.358 tors. eta vs tors. theta energy: -56.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -767.837721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.837721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.837721 (E_RNA) where: Base-Base interactions energy: -526.210 where: short stacking energy: -234.838 Base-Backbone interact. energy: -1.967 local terms energy: -239.661041 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -57.428 flat angles C4'-P-C4' energy: -41.100 flat angles P-C4'-P energy: -35.161 tors. eta vs tors. theta energy: -50.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -542.747306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.747306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.747306 (E_RNA) where: Base-Base interactions energy: -318.482 where: short stacking energy: -142.597 Base-Backbone interact. energy: -1.087 local terms energy: -223.179126 where: bonds (distance) C4'-P energy: -50.845 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -58.100 flat angles P-C4'-P energy: -37.028 tors. eta vs tors. theta energy: -15.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -259.452511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.452511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.452511 (E_RNA) where: Base-Base interactions energy: -84.154 where: short stacking energy: -70.120 Base-Backbone interact. energy: -0.819 local terms energy: -174.479780 where: bonds (distance) C4'-P energy: -60.747 bonds (distance) P-C4' energy: -46.483 flat angles C4'-P-C4' energy: -41.139 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: 10.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1205.566799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.566799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.566799 (E_RNA) where: Base-Base interactions energy: -853.112 where: short stacking energy: -329.442 Base-Backbone interact. energy: 0.253 local terms energy: -352.708000 where: bonds (distance) C4'-P energy: -61.328 bonds (distance) P-C4' energy: -59.444 flat angles C4'-P-C4' energy: -78.252 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -102.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1158.498585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.498585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.498585 (E_RNA) where: Base-Base interactions energy: -798.365 where: short stacking energy: -314.942 Base-Backbone interact. energy: -0.961 local terms energy: -359.172823 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -64.776 flat angles C4'-P-C4' energy: -72.435 flat angles P-C4'-P energy: -50.938 tors. eta vs tors. theta energy: -99.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1056.106507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.106507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.106507 (E_RNA) where: Base-Base interactions energy: -754.327 where: short stacking energy: -305.266 Base-Backbone interact. energy: 1.517 local terms energy: -303.296391 where: bonds (distance) C4'-P energy: -59.867 bonds (distance) P-C4' energy: -43.613 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -85.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1075.154814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.154814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.154814 (E_RNA) where: Base-Base interactions energy: -751.218 where: short stacking energy: -305.163 Base-Backbone interact. energy: -1.989 local terms energy: -321.947121 where: bonds (distance) C4'-P energy: -65.723 bonds (distance) P-C4' energy: -65.108 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -44.736 tors. eta vs tors. theta energy: -83.932 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: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -903.795854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.795854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.795854 (E_RNA) where: Base-Base interactions energy: -623.084 where: short stacking energy: -272.049 Base-Backbone interact. energy: 1.586 local terms energy: -282.297593 where: bonds (distance) C4'-P energy: -59.122 bonds (distance) P-C4' energy: -46.646 flat angles C4'-P-C4' energy: -61.264 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -72.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -865.280182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.280182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.280182 (E_RNA) where: Base-Base interactions energy: -582.902 where: short stacking energy: -248.603 Base-Backbone interact. energy: -1.951 local terms energy: -280.427755 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -50.858 flat angles C4'-P-C4' energy: -63.859 flat angles P-C4'-P energy: -31.970 tors. eta vs tors. theta energy: -73.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -845.098681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.098681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.098681 (E_RNA) where: Base-Base interactions energy: -558.702 where: short stacking energy: -230.486 Base-Backbone interact. energy: -1.183 local terms energy: -285.213113 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -57.133 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -40.942 tors. eta vs tors. theta energy: -57.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -755.340355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.340355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.340355 (E_RNA) where: Base-Base interactions energy: -509.752 where: short stacking energy: -206.220 Base-Backbone interact. energy: 0.444 local terms energy: -246.032728 where: bonds (distance) C4'-P energy: -56.948 bonds (distance) P-C4' energy: -55.773 flat angles C4'-P-C4' energy: -56.699 flat angles P-C4'-P energy: -24.646 tors. eta vs tors. theta energy: -51.966 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: 9, replica: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -530.477354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.477354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.477354 (E_RNA) where: Base-Base interactions energy: -324.160 where: short stacking energy: -145.159 Base-Backbone interact. energy: 1.111 local terms energy: -207.428572 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -57.582 flat angles C4'-P-C4' energy: -59.322 flat angles P-C4'-P energy: -24.879 tors. eta vs tors. theta energy: -10.421 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: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -289.435991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.435991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.435991 (E_RNA) where: Base-Base interactions energy: -120.563 where: short stacking energy: -87.158 Base-Backbone interact. energy: -0.842 local terms energy: -168.030797 where: bonds (distance) C4'-P energy: -50.808 bonds (distance) P-C4' energy: -62.098 flat angles C4'-P-C4' energy: -44.835 flat angles P-C4'-P energy: -14.696 tors. eta vs tors. theta energy: 4.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1212.423089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.423089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.423089 (E_RNA) where: Base-Base interactions energy: -851.861 where: short stacking energy: -322.038 Base-Backbone interact. energy: -1.276 local terms energy: -359.286163 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -96.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1155.325570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.325570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.325570 (E_RNA) where: Base-Base interactions energy: -802.073 where: short stacking energy: -317.139 Base-Backbone interact. energy: -1.827 local terms energy: -351.425563 where: bonds (distance) C4'-P energy: -63.125 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -97.551 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: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1135.917078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.917078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.917078 (E_RNA) where: Base-Base interactions energy: -796.413 where: short stacking energy: -322.281 Base-Backbone interact. energy: -1.298 local terms energy: -338.206481 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -103.958 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1021.467108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.467108 (E_RNA) where: Base-Base interactions energy: -721.346 where: short stacking energy: -296.221 Base-Backbone interact. energy: 3.093 local terms energy: -303.213802 where: bonds (distance) C4'-P energy: -58.411 bonds (distance) P-C4' energy: -54.171 flat angles C4'-P-C4' energy: -63.123 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -82.275 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: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -941.891511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.891511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.891511 (E_RNA) where: Base-Base interactions energy: -627.543 where: short stacking energy: -254.591 Base-Backbone interact. energy: -1.908 local terms energy: -312.440481 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -62.116 flat angles C4'-P-C4' energy: -69.291 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -74.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -870.627487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.627487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.627487 (E_RNA) where: Base-Base interactions energy: -595.529 where: short stacking energy: -270.901 Base-Backbone interact. energy: 1.314 local terms energy: -276.412589 where: bonds (distance) C4'-P energy: -45.013 bonds (distance) P-C4' energy: -52.104 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -68.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -827.876036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.876036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.876036 (E_RNA) where: Base-Base interactions energy: -561.040 where: short stacking energy: -226.877 Base-Backbone interact. energy: -1.442 local terms energy: -265.393306 where: bonds (distance) C4'-P energy: -57.846 bonds (distance) P-C4' energy: -50.096 flat angles C4'-P-C4' energy: -54.696 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -59.068 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: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -742.685881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.685881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.685881 (E_RNA) where: Base-Base interactions energy: -488.631 where: short stacking energy: -193.004 Base-Backbone interact. energy: -0.060 local terms energy: -253.994815 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -50.239 flat angles P-C4'-P energy: -37.100 tors. eta vs tors. theta energy: -51.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -584.139324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.139324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.139324 (E_RNA) where: Base-Base interactions energy: -379.395 where: short stacking energy: -177.962 Base-Backbone interact. energy: 1.894 local terms energy: -206.639094 where: bonds (distance) C4'-P energy: -46.303 bonds (distance) P-C4' energy: -49.234 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -25.205 tors. eta vs tors. theta energy: -28.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -284.879080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.879080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.879080 (E_RNA) where: Base-Base interactions energy: -85.128 where: short stacking energy: -73.074 Base-Backbone interact. energy: 1.236 local terms energy: -200.987054 where: bonds (distance) C4'-P energy: -58.063 bonds (distance) P-C4' energy: -66.286 flat angles C4'-P-C4' energy: -33.945 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -0.857 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: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1208.863214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.863214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.863214 (E_RNA) where: Base-Base interactions energy: -854.451 where: short stacking energy: -336.305 Base-Backbone interact. energy: -3.549 local terms energy: -350.862782 where: bonds (distance) C4'-P energy: -57.047 bonds (distance) P-C4' energy: -66.539 flat angles C4'-P-C4' energy: -74.040 flat angles P-C4'-P energy: -49.779 tors. eta vs tors. theta energy: -103.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1174.639695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.639695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.639695 (E_RNA) where: Base-Base interactions energy: -808.002 where: short stacking energy: -329.516 Base-Backbone interact. energy: -0.851 local terms energy: -365.786449 where: bonds (distance) C4'-P energy: -66.273 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -74.176 flat angles P-C4'-P energy: -51.808 tors. eta vs tors. theta energy: -104.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1122.699324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.699324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.699324 (E_RNA) where: Base-Base interactions energy: -782.812 where: short stacking energy: -318.858 Base-Backbone interact. energy: -1.316 local terms energy: -338.570646 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -44.861 tors. eta vs tors. theta energy: -98.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1034.053191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.053191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.053191 (E_RNA) where: Base-Base interactions energy: -720.234 where: short stacking energy: -283.047 Base-Backbone interact. energy: 0.562 local terms energy: -314.381140 where: bonds (distance) C4'-P energy: -62.501 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: -85.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -962.634882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.634882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.634882 (E_RNA) where: Base-Base interactions energy: -661.317 where: short stacking energy: -277.171 Base-Backbone interact. energy: -1.786 local terms energy: -299.532276 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -54.574 flat angles C4'-P-C4' energy: -62.926 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -75.405 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: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -842.431654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.431654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.431654 (E_RNA) where: Base-Base interactions energy: -559.908 where: short stacking energy: -246.110 Base-Backbone interact. energy: -2.708 local terms energy: -279.816060 where: bonds (distance) C4'-P energy: -56.866 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -63.255 flat angles P-C4'-P energy: -37.545 tors. eta vs tors. theta energy: -64.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -770.997680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.997680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.997680 (E_RNA) where: Base-Base interactions energy: -498.987 where: short stacking energy: -202.930 Base-Backbone interact. energy: 2.126 local terms energy: -274.136423 where: bonds (distance) C4'-P energy: -52.556 bonds (distance) P-C4' energy: -58.583 flat angles C4'-P-C4' energy: -59.096 flat angles P-C4'-P energy: -40.627 tors. eta vs tors. theta energy: -63.275 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: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -738.558407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.558407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.558407 (E_RNA) where: Base-Base interactions energy: -487.655 where: short stacking energy: -197.818 Base-Backbone interact. energy: 2.216 local terms energy: -253.119452 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -45.326 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: -48.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -552.472216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.472216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.472216 (E_RNA) where: Base-Base interactions energy: -325.283 where: short stacking energy: -156.626 Base-Backbone interact. energy: -0.834 local terms energy: -226.355142 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -64.146 flat angles C4'-P-C4' energy: -48.194 flat angles P-C4'-P energy: -29.875 tors. eta vs tors. theta energy: -29.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -277.635673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.635673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.635673 (E_RNA) where: Base-Base interactions energy: -99.838 where: short stacking energy: -96.249 Base-Backbone interact. energy: 3.851 local terms energy: -181.648783 where: bonds (distance) C4'-P energy: -46.588 bonds (distance) P-C4' energy: -61.800 flat angles C4'-P-C4' energy: -53.570 flat angles P-C4'-P energy: -14.290 tors. eta vs tors. theta energy: -5.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1189.117318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.117318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.117318 (E_RNA) where: Base-Base interactions energy: -825.280 where: short stacking energy: -351.838 Base-Backbone interact. energy: -1.049 local terms energy: -362.788388 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -67.951 flat angles C4'-P-C4' energy: -73.278 flat angles P-C4'-P energy: -52.089 tors. eta vs tors. theta energy: -107.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1187.644671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.644671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.644671 (E_RNA) where: Base-Base interactions energy: -832.432 where: short stacking energy: -347.051 Base-Backbone interact. energy: -3.330 local terms energy: -351.882699 where: bonds (distance) C4'-P energy: -66.684 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -73.494 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -102.502 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: 196 Temperature: 1.000000 Total energy: -1111.712261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.712261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.712261 (E_RNA) where: Base-Base interactions energy: -772.826 where: short stacking energy: -334.821 Base-Backbone interact. energy: 0.099 local terms energy: -338.985424 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -77.109 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -91.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1035.664675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.664675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.664675 (E_RNA) where: Base-Base interactions energy: -720.356 where: short stacking energy: -293.273 Base-Backbone interact. energy: -0.652 local terms energy: -314.656788 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -63.178 flat angles C4'-P-C4' energy: -64.335 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -83.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -983.223754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.223754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.223754 (E_RNA) where: Base-Base interactions energy: -679.564 where: short stacking energy: -273.804 Base-Backbone interact. energy: -0.743 local terms energy: -302.917041 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -58.581 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -78.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -873.959604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.959604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.959604 (E_RNA) where: Base-Base interactions energy: -585.792 where: short stacking energy: -248.836 Base-Backbone interact. energy: -1.277 local terms energy: -286.890342 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -63.182 flat angles C4'-P-C4' energy: -58.243 flat angles P-C4'-P energy: -35.133 tors. eta vs tors. theta energy: -66.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -794.575331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.575331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.575331 (E_RNA) where: Base-Base interactions energy: -540.886 where: short stacking energy: -220.897 Base-Backbone interact. energy: -1.310 local terms energy: -252.379203 where: bonds (distance) C4'-P energy: -38.906 bonds (distance) P-C4' energy: -55.668 flat angles C4'-P-C4' energy: -63.300 flat angles P-C4'-P energy: -35.449 tors. eta vs tors. theta energy: -59.056 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: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -749.260421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.260421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.260421 (E_RNA) where: Base-Base interactions energy: -499.291 where: short stacking energy: -200.469 Base-Backbone interact. energy: 1.326 local terms energy: -251.295897 where: bonds (distance) C4'-P energy: -48.239 bonds (distance) P-C4' energy: -55.642 flat angles C4'-P-C4' energy: -57.593 flat angles P-C4'-P energy: -43.508 tors. eta vs tors. theta energy: -46.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -547.686355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.686355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.686355 (E_RNA) where: Base-Base interactions energy: -338.477 where: short stacking energy: -155.138 Base-Backbone interact. energy: -0.246 local terms energy: -208.963090 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -48.063 flat angles P-C4'-P energy: -33.171 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -292.354286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.354286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.354286 (E_RNA) where: Base-Base interactions energy: -110.122 where: short stacking energy: -61.967 Base-Backbone interact. energy: -0.963 local terms energy: -181.268881 where: bonds (distance) C4'-P energy: -46.318 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -41.343 flat angles P-C4'-P energy: -26.781 tors. eta vs tors. theta energy: 1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1185.658867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.658867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.658867 (E_RNA) where: Base-Base interactions energy: -826.162 where: short stacking energy: -330.798 Base-Backbone interact. energy: -1.963 local terms energy: -357.534096 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -72.136 flat angles P-C4'-P energy: -48.985 tors. eta vs tors. theta energy: -101.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1197.178019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.178019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.178019 (E_RNA) where: Base-Base interactions energy: -858.283 where: short stacking energy: -343.871 Base-Backbone interact. energy: -1.622 local terms energy: -337.272972 where: bonds (distance) C4'-P energy: -58.602 bonds (distance) P-C4' energy: -55.970 flat angles C4'-P-C4' energy: -74.916 flat angles P-C4'-P energy: -49.198 tors. eta vs tors. theta energy: -98.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1106.402331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.402331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.402331 (E_RNA) where: Base-Base interactions energy: -778.770 where: short stacking energy: -322.819 Base-Backbone interact. energy: -0.822 local terms energy: -326.810349 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -61.422 flat angles P-C4'-P energy: -49.878 tors. eta vs tors. theta energy: -94.387 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: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1057.133899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.133899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.133899 (E_RNA) where: Base-Base interactions energy: -727.724 where: short stacking energy: -279.420 Base-Backbone interact. energy: -1.015 local terms energy: -328.394968 where: bonds (distance) C4'-P energy: -69.950 bonds (distance) P-C4' energy: -64.653 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -40.471 tors. eta vs tors. theta energy: -86.869 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: 197 Temperature: 1.100000 Total energy: -981.019703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.019703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.019703 (E_RNA) where: Base-Base interactions energy: -663.330 where: short stacking energy: -261.069 Base-Backbone interact. energy: -1.015 local terms energy: -316.674741 where: bonds (distance) C4'-P energy: -54.452 bonds (distance) P-C4' energy: -69.231 flat angles C4'-P-C4' energy: -69.741 flat angles P-C4'-P energy: -41.150 tors. eta vs tors. theta energy: -82.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -866.853280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.853280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.853280 (E_RNA) where: Base-Base interactions energy: -588.442 where: short stacking energy: -240.188 Base-Backbone interact. energy: -2.331 local terms energy: -276.079749 where: bonds (distance) C4'-P energy: -58.613 bonds (distance) P-C4' energy: -55.159 flat angles C4'-P-C4' energy: -66.342 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: -58.374 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: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -801.205030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.205030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.205030 (E_RNA) where: Base-Base interactions energy: -519.651 where: short stacking energy: -225.757 Base-Backbone interact. energy: 1.617 local terms energy: -283.171033 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -52.592 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -44.635 tors. eta vs tors. theta energy: -58.486 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -773.746556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.746556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.746556 (E_RNA) where: Base-Base interactions energy: -503.280 where: short stacking energy: -203.133 Base-Backbone interact. energy: 3.171 local terms energy: -273.637831 where: bonds (distance) C4'-P energy: -57.223 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -59.636 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -47.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -555.610627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.610627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.610627 (E_RNA) where: Base-Base interactions energy: -326.631 where: short stacking energy: -134.490 Base-Backbone interact. energy: 0.238 local terms energy: -229.217290 where: bonds (distance) C4'-P energy: -55.818 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -49.140 flat angles P-C4'-P energy: -35.267 tors. eta vs tors. theta energy: -28.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -272.422942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.422942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.422942 (E_RNA) where: Base-Base interactions energy: -92.205 where: short stacking energy: -83.056 Base-Backbone interact. energy: 5.005 local terms energy: -185.223161 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -38.639 flat angles P-C4'-P energy: -26.079 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1197.797045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.797045 (E_RNA) where: Base-Base interactions energy: -841.400 where: short stacking energy: -318.940 Base-Backbone interact. energy: -0.550 local terms energy: -355.847297 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -65.154 flat angles C4'-P-C4' energy: -73.911 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -101.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1174.328437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.328437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.328437 (E_RNA) where: Base-Base interactions energy: -816.108 where: short stacking energy: -313.678 Base-Backbone interact. energy: -0.205 local terms energy: -358.014695 where: bonds (distance) C4'-P energy: -60.404 bonds (distance) P-C4' energy: -67.194 flat angles C4'-P-C4' energy: -79.440 flat angles P-C4'-P energy: -47.096 tors. eta vs tors. theta energy: -103.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1093.615443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.615443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.615443 (E_RNA) where: Base-Base interactions energy: -763.542 where: short stacking energy: -317.965 Base-Backbone interact. energy: 2.148 local terms energy: -332.221394 where: bonds (distance) C4'-P energy: -58.904 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -70.314 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -96.415 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1052.987519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.987519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.987519 (E_RNA) where: Base-Base interactions energy: -724.586 where: short stacking energy: -312.765 Base-Backbone interact. energy: -0.908 local terms energy: -327.493353 where: bonds (distance) C4'-P energy: -59.226 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -68.344 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -91.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -982.934185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.934185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.934185 (E_RNA) where: Base-Base interactions energy: -663.225 where: short stacking energy: -262.532 Base-Backbone interact. energy: -1.768 local terms energy: -317.941485 where: bonds (distance) C4'-P energy: -69.902 bonds (distance) P-C4' energy: -50.848 flat angles C4'-P-C4' energy: -66.295 flat angles P-C4'-P energy: -48.295 tors. eta vs tors. theta energy: -82.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -868.415738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.415738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.415738 (E_RNA) where: Base-Base interactions energy: -601.862 where: short stacking energy: -239.561 Base-Backbone interact. energy: 5.942 local terms energy: -272.495803 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -53.628 flat angles C4'-P-C4' energy: -61.840 flat angles P-C4'-P energy: -33.321 tors. eta vs tors. theta energy: -72.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -767.541616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.541616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.541616 (E_RNA) where: Base-Base interactions energy: -496.834 where: short stacking energy: -213.019 Base-Backbone interact. energy: -0.396 local terms energy: -270.311647 where: bonds (distance) C4'-P energy: -61.511 bonds (distance) P-C4' energy: -66.844 flat angles C4'-P-C4' energy: -50.234 flat angles P-C4'-P energy: -35.301 tors. eta vs tors. theta energy: -56.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -752.456740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.456740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.456740 (E_RNA) where: Base-Base interactions energy: -483.255 where: short stacking energy: -211.872 Base-Backbone interact. energy: 0.558 local terms energy: -269.759544 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -61.914 flat angles C4'-P-C4' energy: -66.840 flat angles P-C4'-P energy: -30.339 tors. eta vs tors. theta energy: -52.866 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: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -563.528925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.528925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.528925 (E_RNA) where: Base-Base interactions energy: -363.290 where: short stacking energy: -171.862 Base-Backbone interact. energy: 1.596 local terms energy: -201.835056 where: bonds (distance) C4'-P energy: -55.900 bonds (distance) P-C4' energy: -45.233 flat angles C4'-P-C4' energy: -38.182 flat angles P-C4'-P energy: -30.038 tors. eta vs tors. theta energy: -32.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -288.683876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.683876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.683876 (E_RNA) where: Base-Base interactions energy: -107.004 where: short stacking energy: -93.187 Base-Backbone interact. energy: 1.657 local terms energy: -183.336501 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -49.530 flat angles C4'-P-C4' energy: -55.035 flat angles P-C4'-P energy: -32.816 tors. eta vs tors. theta energy: 4.725 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1213.886473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.886473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.886473 (E_RNA) where: Base-Base interactions energy: -863.082 where: short stacking energy: -341.408 Base-Backbone interact. energy: 0.034 local terms energy: -350.838227 where: bonds (distance) C4'-P energy: -67.208 bonds (distance) P-C4' energy: -62.432 flat angles C4'-P-C4' energy: -79.312 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1147.368695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.368695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.368695 (E_RNA) where: Base-Base interactions energy: -793.111 where: short stacking energy: -323.502 Base-Backbone interact. energy: -1.363 local terms energy: -352.894567 where: bonds (distance) C4'-P energy: -64.733 bonds (distance) P-C4' energy: -61.070 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -102.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1144.042433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.042433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.042433 (E_RNA) where: Base-Base interactions energy: -793.969 where: short stacking energy: -320.316 Base-Backbone interact. energy: 1.451 local terms energy: -351.523945 where: bonds (distance) C4'-P energy: -66.437 bonds (distance) P-C4' energy: -61.015 flat angles C4'-P-C4' energy: -76.248 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -104.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1036.151634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.151634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.151634 (E_RNA) where: Base-Base interactions energy: -746.352 where: short stacking energy: -291.574 Base-Backbone interact. energy: 3.227 local terms energy: -293.026582 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -51.605 flat angles C4'-P-C4' energy: -59.192 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -85.853 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: 199 Temperature: 1.100000 Total energy: -1014.554945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.554945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.554945 (E_RNA) where: Base-Base interactions energy: -697.050 where: short stacking energy: -268.523 Base-Backbone interact. energy: -2.493 local terms energy: -315.012106 where: bonds (distance) C4'-P energy: -56.133 bonds (distance) P-C4' energy: -61.026 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -50.451 tors. eta vs tors. theta energy: -75.435 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: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -889.299494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.299494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.299494 (E_RNA) where: Base-Base interactions energy: -601.224 where: short stacking energy: -252.333 Base-Backbone interact. energy: -2.314 local terms energy: -285.761121 where: bonds (distance) C4'-P energy: -46.498 bonds (distance) P-C4' energy: -56.476 flat angles C4'-P-C4' energy: -73.372 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -64.236 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: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -790.196484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.196484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.196484 (E_RNA) where: Base-Base interactions energy: -516.590 where: short stacking energy: -223.118 Base-Backbone interact. energy: 4.997 local terms energy: -278.603225 where: bonds (distance) C4'-P energy: -63.705 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -63.115 flat angles P-C4'-P energy: -31.490 tors. eta vs tors. theta energy: -59.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -764.827056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.827056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.827056 (E_RNA) where: Base-Base interactions energy: -519.589 where: short stacking energy: -221.079 Base-Backbone interact. energy: 3.961 local terms energy: -249.198374 where: bonds (distance) C4'-P energy: -49.742 bonds (distance) P-C4' energy: -65.025 flat angles C4'-P-C4' energy: -58.492 flat angles P-C4'-P energy: -25.552 tors. eta vs tors. theta energy: -50.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -556.665103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.665103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.665103 (E_RNA) where: Base-Base interactions energy: -334.653 where: short stacking energy: -153.605 Base-Backbone interact. energy: -0.538 local terms energy: -221.473381 where: bonds (distance) C4'-P energy: -48.891 bonds (distance) P-C4' energy: -53.107 flat angles C4'-P-C4' energy: -59.887 flat angles P-C4'-P energy: -36.105 tors. eta vs tors. theta energy: -23.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -281.277923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.277923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.277923 (E_RNA) where: Base-Base interactions energy: -91.749 where: short stacking energy: -53.924 Base-Backbone interact. energy: -0.963 local terms energy: -188.565404 where: bonds (distance) C4'-P energy: -53.169 bonds (distance) P-C4' energy: -50.827 flat angles C4'-P-C4' energy: -63.071 flat angles P-C4'-P energy: -18.355 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1205.053530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.053530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.053530 (E_RNA) where: Base-Base interactions energy: -851.652 where: short stacking energy: -320.757 Base-Backbone interact. energy: 0.772 local terms energy: -354.173484 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -74.168 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -95.454 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: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1140.188769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.188769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.188769 (E_RNA) where: Base-Base interactions energy: -790.044 where: short stacking energy: -335.947 Base-Backbone interact. energy: -1.757 local terms energy: -348.388382 where: bonds (distance) C4'-P energy: -66.706 bonds (distance) P-C4' energy: -54.707 flat angles C4'-P-C4' energy: -76.977 flat angles P-C4'-P energy: -46.413 tors. eta vs tors. theta energy: -103.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1133.915853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.915853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.915853 (E_RNA) where: Base-Base interactions energy: -781.599 where: short stacking energy: -304.513 Base-Backbone interact. energy: -0.094 local terms energy: -352.222424 where: bonds (distance) C4'-P energy: -65.849 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -75.289 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: -94.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1006.020450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.020450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.020450 (E_RNA) where: Base-Base interactions energy: -689.097 where: short stacking energy: -297.823 Base-Backbone interact. energy: -0.347 local terms energy: -316.577021 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -45.661 tors. eta vs tors. theta energy: -79.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -997.204372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.204372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.204372 (E_RNA) where: Base-Base interactions energy: -679.460 where: short stacking energy: -277.385 Base-Backbone interact. energy: -0.673 local terms energy: -317.070798 where: bonds (distance) C4'-P energy: -60.113 bonds (distance) P-C4' energy: -61.163 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: -82.770 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: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -928.095514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.095514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.095514 (E_RNA) where: Base-Base interactions energy: -650.162 where: short stacking energy: -268.933 Base-Backbone interact. energy: -0.451 local terms energy: -277.481909 where: bonds (distance) C4'-P energy: -43.852 bonds (distance) P-C4' energy: -54.590 flat angles C4'-P-C4' energy: -63.680 flat angles P-C4'-P energy: -49.365 tors. eta vs tors. theta energy: -65.995 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: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -766.057855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.057855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.057855 (E_RNA) where: Base-Base interactions energy: -501.891 where: short stacking energy: -202.595 Base-Backbone interact. energy: -1.194 local terms energy: -262.972859 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -42.887 flat angles C4'-P-C4' energy: -68.722 flat angles P-C4'-P energy: -38.445 tors. eta vs tors. theta energy: -55.120 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: 4 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -759.343962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.343962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.343962 (E_RNA) where: Base-Base interactions energy: -506.897 where: short stacking energy: -237.902 Base-Backbone interact. energy: -1.000 local terms energy: -251.446493 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -53.892 flat angles C4'-P-C4' energy: -60.876 flat angles P-C4'-P energy: -20.433 tors. eta vs tors. theta energy: -62.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -599.181185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.181185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.181185 (E_RNA) where: Base-Base interactions energy: -360.172 where: short stacking energy: -153.630 Base-Backbone interact. energy: -2.188 local terms energy: -236.821221 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -52.429 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -26.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -276.740676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.740676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.740676 (E_RNA) where: Base-Base interactions energy: -130.023 where: short stacking energy: -76.791 Base-Backbone interact. energy: -1.021 local terms energy: -145.696787 where: bonds (distance) C4'-P energy: -46.265 bonds (distance) P-C4' energy: -51.772 flat angles C4'-P-C4' energy: -45.632 flat angles P-C4'-P energy: -19.265 tors. eta vs tors. theta energy: 17.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1218.903732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.903732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.903732 (E_RNA) where: Base-Base interactions energy: -865.611 where: short stacking energy: -326.910 Base-Backbone interact. energy: -1.078 local terms energy: -352.215109 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -65.806 flat angles C4'-P-C4' energy: -77.525 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: -96.057 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: 201 Temperature: 0.950000 Total energy: -1166.032650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.032650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.032650 (E_RNA) where: Base-Base interactions energy: -818.637 where: short stacking energy: -327.447 Base-Backbone interact. energy: 0.273 local terms energy: -347.668880 where: bonds (distance) C4'-P energy: -63.139 bonds (distance) P-C4' energy: -63.289 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -49.996 tors. eta vs tors. theta energy: -99.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1097.635562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.635562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.635562 (E_RNA) where: Base-Base interactions energy: -756.619 where: short stacking energy: -318.792 Base-Backbone interact. energy: -1.616 local terms energy: -339.399717 where: bonds (distance) C4'-P energy: -64.411 bonds (distance) P-C4' energy: -61.167 flat angles C4'-P-C4' energy: -70.357 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -99.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1018.432787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.432787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.432787 (E_RNA) where: Base-Base interactions energy: -696.132 where: short stacking energy: -283.774 Base-Backbone interact. energy: -0.468 local terms energy: -321.833083 where: bonds (distance) C4'-P energy: -61.633 bonds (distance) P-C4' energy: -64.702 flat angles C4'-P-C4' energy: -70.299 flat angles P-C4'-P energy: -48.689 tors. eta vs tors. theta energy: -76.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1007.194751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.194751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.194751 (E_RNA) where: Base-Base interactions energy: -682.705 where: short stacking energy: -275.510 Base-Backbone interact. energy: -1.806 local terms energy: -322.683426 where: bonds (distance) C4'-P energy: -64.181 bonds (distance) P-C4' energy: -63.167 flat angles C4'-P-C4' energy: -68.011 flat angles P-C4'-P energy: -43.724 tors. eta vs tors. theta energy: -83.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -922.689928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.689928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.689928 (E_RNA) where: Base-Base interactions energy: -626.603 where: short stacking energy: -254.763 Base-Backbone interact. energy: -2.914 local terms energy: -293.173783 where: bonds (distance) C4'-P energy: -56.130 bonds (distance) P-C4' energy: -49.845 flat angles C4'-P-C4' energy: -62.518 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -79.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -752.325538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.325538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.325538 (E_RNA) where: Base-Base interactions energy: -487.316 where: short stacking energy: -220.384 Base-Backbone interact. energy: -1.183 local terms energy: -263.826383 where: bonds (distance) C4'-P energy: -49.863 bonds (distance) P-C4' energy: -50.273 flat angles C4'-P-C4' energy: -60.545 flat angles P-C4'-P energy: -42.325 tors. eta vs tors. theta energy: -60.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -762.832691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.832691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.832691 (E_RNA) where: Base-Base interactions energy: -497.678 where: short stacking energy: -221.395 Base-Backbone interact. energy: 1.144 local terms energy: -266.298744 where: bonds (distance) C4'-P energy: -66.160 bonds (distance) P-C4' energy: -45.037 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -47.868 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: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -573.237804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.237804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.237804 (E_RNA) where: Base-Base interactions energy: -350.313 where: short stacking energy: -150.596 Base-Backbone interact. energy: -0.529 local terms energy: -222.396385 where: bonds (distance) C4'-P energy: -49.050 bonds (distance) P-C4' energy: -52.523 flat angles C4'-P-C4' energy: -56.080 flat angles P-C4'-P energy: -34.444 tors. eta vs tors. theta energy: -30.300 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: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -293.308246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.308246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.308246 (E_RNA) where: Base-Base interactions energy: -113.336 where: short stacking energy: -63.837 Base-Backbone interact. energy: 0.429 local terms energy: -180.401236 where: bonds (distance) C4'-P energy: -58.642 bonds (distance) P-C4' energy: -57.886 flat angles C4'-P-C4' energy: -48.275 flat angles P-C4'-P energy: -27.419 tors. eta vs tors. theta energy: 11.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1230.857935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.857935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.857935 (E_RNA) where: Base-Base interactions energy: -881.244 where: short stacking energy: -352.830 Base-Backbone interact. energy: 0.187 local terms energy: -349.801110 where: bonds (distance) C4'-P energy: -59.993 bonds (distance) P-C4' energy: -62.830 flat angles C4'-P-C4' energy: -71.451 flat angles P-C4'-P energy: -47.562 tors. eta vs tors. theta energy: -107.964 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: 202 Temperature: 0.950000 Total energy: -1156.563102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.563102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.563102 (E_RNA) where: Base-Base interactions energy: -792.266 where: short stacking energy: -321.369 Base-Backbone interact. energy: 0.172 local terms energy: -364.468891 where: bonds (distance) C4'-P energy: -66.655 bonds (distance) P-C4' energy: -67.204 flat angles C4'-P-C4' energy: -72.335 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -103.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1102.588823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.588823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.588823 (E_RNA) where: Base-Base interactions energy: -773.880 where: short stacking energy: -323.822 Base-Backbone interact. energy: -1.300 local terms energy: -327.409075 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -50.349 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -98.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1036.859199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.859199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.859199 (E_RNA) where: Base-Base interactions energy: -727.978 where: short stacking energy: -293.824 Base-Backbone interact. energy: -1.575 local terms energy: -307.306255 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -63.018 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -42.318 tors. eta vs tors. theta energy: -81.529 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: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1005.113138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.113138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.113138 (E_RNA) where: Base-Base interactions energy: -711.684 where: short stacking energy: -286.436 Base-Backbone interact. energy: -2.443 local terms energy: -290.987016 where: bonds (distance) C4'-P energy: -54.842 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -77.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -938.021936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.021936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.021936 (E_RNA) where: Base-Base interactions energy: -636.965 where: short stacking energy: -263.472 Base-Backbone interact. energy: -1.215 local terms energy: -299.841868 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -52.497 flat angles C4'-P-C4' energy: -64.852 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -767.923510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.923510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.923510 (E_RNA) where: Base-Base interactions energy: -499.195 where: short stacking energy: -198.435 Base-Backbone interact. energy: -0.198 local terms energy: -268.531061 where: bonds (distance) C4'-P energy: -53.008 bonds (distance) P-C4' energy: -55.311 flat angles C4'-P-C4' energy: -62.138 flat angles P-C4'-P energy: -40.973 tors. eta vs tors. theta energy: -57.101 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -706.433034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.433034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.433034 (E_RNA) where: Base-Base interactions energy: -455.176 where: short stacking energy: -199.939 Base-Backbone interact. energy: -0.444 local terms energy: -250.812837 where: bonds (distance) C4'-P energy: -58.747 bonds (distance) P-C4' energy: -49.144 flat angles C4'-P-C4' energy: -64.448 flat angles P-C4'-P energy: -34.693 tors. eta vs tors. theta energy: -43.781 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: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -550.850554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.850554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.850554 (E_RNA) where: Base-Base interactions energy: -343.787 where: short stacking energy: -150.788 Base-Backbone interact. energy: 1.266 local terms energy: -208.329396 where: bonds (distance) C4'-P energy: -50.425 bonds (distance) P-C4' energy: -41.476 flat angles C4'-P-C4' energy: -56.187 flat angles P-C4'-P energy: -34.362 tors. eta vs tors. theta energy: -25.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -294.723477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.723477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.723477 (E_RNA) where: Base-Base interactions energy: -122.766 where: short stacking energy: -86.380 Base-Backbone interact. energy: 1.179 local terms energy: -173.136976 where: bonds (distance) C4'-P energy: -53.482 bonds (distance) P-C4' energy: -61.520 flat angles C4'-P-C4' energy: -42.942 flat angles P-C4'-P energy: -21.343 tors. eta vs tors. theta energy: 6.151 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1215.445089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.445089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.445089 (E_RNA) where: Base-Base interactions energy: -873.352 where: short stacking energy: -342.568 Base-Backbone interact. energy: 4.894 local terms energy: -346.986902 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -77.796 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -100.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1120.399796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.399796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.399796 (E_RNA) where: Base-Base interactions energy: -774.692 where: short stacking energy: -297.584 Base-Backbone interact. energy: -1.685 local terms energy: -344.022688 where: bonds (distance) C4'-P energy: -66.199 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -70.728 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -92.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1119.173850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.173850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.173850 (E_RNA) where: Base-Base interactions energy: -795.387 where: short stacking energy: -320.138 Base-Backbone interact. energy: 0.718 local terms energy: -324.505407 where: bonds (distance) C4'-P energy: -60.467 bonds (distance) P-C4' energy: -55.277 flat angles C4'-P-C4' energy: -66.918 flat angles P-C4'-P energy: -40.692 tors. eta vs tors. theta energy: -101.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1040.904559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.904559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.904559 (E_RNA) where: Base-Base interactions energy: -714.009 where: short stacking energy: -284.584 Base-Backbone interact. energy: 1.008 local terms energy: -327.903487 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -70.159 flat angles C4'-P-C4' energy: -70.296 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -85.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1008.495176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.495176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.495176 (E_RNA) where: Base-Base interactions energy: -703.990 where: short stacking energy: -277.996 Base-Backbone interact. energy: 1.778 local terms energy: -306.282946 where: bonds (distance) C4'-P energy: -56.175 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -67.926 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -78.210 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: 203 Temperature: 1.150000 Total energy: -943.916617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.916617 (E_RNA) where: Base-Base interactions energy: -660.111 where: short stacking energy: -271.266 Base-Backbone interact. energy: 0.748 local terms energy: -284.553349 where: bonds (distance) C4'-P energy: -45.786 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -70.185 flat angles P-C4'-P energy: -35.434 tors. eta vs tors. theta energy: -76.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -775.451769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.451769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.451769 (E_RNA) where: Base-Base interactions energy: -478.777 where: short stacking energy: -213.439 Base-Backbone interact. energy: -1.002 local terms energy: -295.672437 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -63.034 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -38.738 tors. eta vs tors. theta energy: -66.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -707.675304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.675304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.675304 (E_RNA) where: Base-Base interactions energy: -453.766 where: short stacking energy: -193.952 Base-Backbone interact. energy: -0.748 local terms energy: -253.161196 where: bonds (distance) C4'-P energy: -48.351 bonds (distance) P-C4' energy: -62.006 flat angles C4'-P-C4' energy: -53.119 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -43.408 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: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -558.604241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.604241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.604241 (E_RNA) where: Base-Base interactions energy: -317.880 where: short stacking energy: -144.128 Base-Backbone interact. energy: -1.909 local terms energy: -238.814749 where: bonds (distance) C4'-P energy: -55.473 bonds (distance) P-C4' energy: -59.423 flat angles C4'-P-C4' energy: -62.629 flat angles P-C4'-P energy: -29.249 tors. eta vs tors. theta energy: -32.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -266.121811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.121811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.121811 (E_RNA) where: Base-Base interactions energy: -101.001 where: short stacking energy: -87.983 Base-Backbone interact. energy: -0.669 local terms energy: -164.450867 where: bonds (distance) C4'-P energy: -53.806 bonds (distance) P-C4' energy: -39.043 flat angles C4'-P-C4' energy: -36.000 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: 6.777 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: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1221.155369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.155369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.155369 (E_RNA) where: Base-Base interactions energy: -880.193 where: short stacking energy: -342.183 Base-Backbone interact. energy: 2.608 local terms energy: -343.570761 where: bonds (distance) C4'-P energy: -44.103 bonds (distance) P-C4' energy: -76.796 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -108.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1128.688622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.688622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.688622 (E_RNA) where: Base-Base interactions energy: -783.525 where: short stacking energy: -320.005 Base-Backbone interact. energy: -1.432 local terms energy: -343.731973 where: bonds (distance) C4'-P energy: -54.459 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -72.162 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -98.689 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: 1 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1139.574401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.574401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.574401 (E_RNA) where: Base-Base interactions energy: -780.667 where: short stacking energy: -297.300 Base-Backbone interact. energy: -0.886 local terms energy: -358.021426 where: bonds (distance) C4'-P energy: -68.188 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -81.567 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -95.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1048.280488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.280488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.280488 (E_RNA) where: Base-Base interactions energy: -728.356 where: short stacking energy: -291.621 Base-Backbone interact. energy: -2.750 local terms energy: -317.173911 where: bonds (distance) C4'-P energy: -58.115 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -67.588 flat angles P-C4'-P energy: -47.431 tors. eta vs tors. theta energy: -86.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1037.956625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.956625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.956625 (E_RNA) where: Base-Base interactions energy: -724.241 where: short stacking energy: -279.546 Base-Backbone interact. energy: -2.311 local terms energy: -311.404663 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -50.596 flat angles C4'-P-C4' energy: -67.780 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -88.659 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: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -915.440641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.440641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.440641 (E_RNA) where: Base-Base interactions energy: -631.596 where: short stacking energy: -247.559 Base-Backbone interact. energy: 0.494 local terms energy: -284.338803 where: bonds (distance) C4'-P energy: -64.047 bonds (distance) P-C4' energy: -55.669 flat angles C4'-P-C4' energy: -52.209 flat angles P-C4'-P energy: -34.498 tors. eta vs tors. theta energy: -77.916 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: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -777.134748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.134748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.134748 (E_RNA) where: Base-Base interactions energy: -501.950 where: short stacking energy: -211.417 Base-Backbone interact. energy: -0.560 local terms energy: -274.625147 where: bonds (distance) C4'-P energy: -53.155 bonds (distance) P-C4' energy: -58.572 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -39.082 tors. eta vs tors. theta energy: -56.098 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: 8, replica: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -716.557320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.557320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.557320 (E_RNA) where: Base-Base interactions energy: -463.896 where: short stacking energy: -182.066 Base-Backbone interact. energy: -2.906 local terms energy: -249.755517 where: bonds (distance) C4'-P energy: -47.780 bonds (distance) P-C4' energy: -68.730 flat angles C4'-P-C4' energy: -60.156 flat angles P-C4'-P energy: -29.047 tors. eta vs tors. theta energy: -44.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -574.803467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.803467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.803467 (E_RNA) where: Base-Base interactions energy: -308.595 where: short stacking energy: -153.079 Base-Backbone interact. energy: -1.355 local terms energy: -264.853308 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -71.720 flat angles P-C4'-P energy: -42.939 tors. eta vs tors. theta energy: -30.480 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: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -300.843997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.843997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.843997 (E_RNA) where: Base-Base interactions energy: -123.432 where: short stacking energy: -81.747 Base-Backbone interact. energy: -0.072 local terms energy: -177.340163 where: bonds (distance) C4'-P energy: -51.239 bonds (distance) P-C4' energy: -54.203 flat angles C4'-P-C4' energy: -42.017 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: 9.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1231.658069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.658069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.658069 (E_RNA) where: Base-Base interactions energy: -869.721 where: short stacking energy: -344.572 Base-Backbone interact. energy: -1.443 local terms energy: -360.494482 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -105.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1148.268877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.268877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.268877 (E_RNA) where: Base-Base interactions energy: -797.538 where: short stacking energy: -314.114 Base-Backbone interact. energy: -1.774 local terms energy: -348.956447 where: bonds (distance) C4'-P energy: -66.941 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -95.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1098.588030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.588030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.588030 (E_RNA) where: Base-Base interactions energy: -776.118 where: short stacking energy: -309.250 Base-Backbone interact. energy: -2.047 local terms energy: -320.422537 where: bonds (distance) C4'-P energy: -63.989 bonds (distance) P-C4' energy: -48.294 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -90.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1057.126528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.126528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.126528 (E_RNA) where: Base-Base interactions energy: -716.274 where: short stacking energy: -288.682 Base-Backbone interact. energy: -1.875 local terms energy: -338.977103 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -69.826 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -51.574 tors. eta vs tors. theta energy: -86.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -981.712054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.712054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.712054 (E_RNA) where: Base-Base interactions energy: -668.964 where: short stacking energy: -284.240 Base-Backbone interact. energy: -0.393 local terms energy: -312.355215 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -62.795 flat angles C4'-P-C4' energy: -66.023 flat angles P-C4'-P energy: -38.283 tors. eta vs tors. theta energy: -77.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -899.775431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.775431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.775431 (E_RNA) where: Base-Base interactions energy: -622.166 where: short stacking energy: -261.327 Base-Backbone interact. energy: -1.117 local terms energy: -276.492780 where: bonds (distance) C4'-P energy: -50.367 bonds (distance) P-C4' energy: -57.293 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -69.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -764.202011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.202011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.202011 (E_RNA) where: Base-Base interactions energy: -491.158 where: short stacking energy: -211.498 Base-Backbone interact. energy: -1.516 local terms energy: -271.528246 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -60.125 flat angles C4'-P-C4' energy: -60.662 flat angles P-C4'-P energy: -32.970 tors. eta vs tors. theta energy: -59.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -692.426329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.426329 (E_RNA) where: Base-Base interactions energy: -439.493 where: short stacking energy: -192.045 Base-Backbone interact. energy: 0.993 local terms energy: -253.925803 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -54.881 flat angles C4'-P-C4' energy: -55.840 flat angles P-C4'-P energy: -36.575 tors. eta vs tors. theta energy: -48.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -549.411236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.411236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.411236 (E_RNA) where: Base-Base interactions energy: -330.180 where: short stacking energy: -163.579 Base-Backbone interact. energy: 1.347 local terms energy: -220.578066 where: bonds (distance) C4'-P energy: -59.300 bonds (distance) P-C4' energy: -50.029 flat angles C4'-P-C4' energy: -59.437 flat angles P-C4'-P energy: -31.584 tors. eta vs tors. theta energy: -20.227 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: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -270.092569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.092569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.092569 (E_RNA) where: Base-Base interactions energy: -99.901 where: short stacking energy: -93.991 Base-Backbone interact. energy: 3.935 local terms energy: -174.126053 where: bonds (distance) C4'-P energy: -47.939 bonds (distance) P-C4' energy: -53.979 flat angles C4'-P-C4' energy: -42.482 flat angles P-C4'-P energy: -37.824 tors. eta vs tors. theta energy: 8.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1243.462743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.462743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.462743 (E_RNA) where: Base-Base interactions energy: -880.736 where: short stacking energy: -356.298 Base-Backbone interact. energy: -2.390 local terms energy: -360.336837 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -62.015 flat angles C4'-P-C4' energy: -74.530 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -104.990 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: 206 Temperature: 0.950000 Total energy: -1164.782136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.782136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.782136 (E_RNA) where: Base-Base interactions energy: -823.363 where: short stacking energy: -332.351 Base-Backbone interact. energy: 0.536 local terms energy: -341.955461 where: bonds (distance) C4'-P energy: -60.092 bonds (distance) P-C4' energy: -60.957 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -96.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1109.406906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.406906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.406906 (E_RNA) where: Base-Base interactions energy: -775.659 where: short stacking energy: -305.387 Base-Backbone interact. energy: -1.100 local terms energy: -332.647539 where: bonds (distance) C4'-P energy: -60.016 bonds (distance) P-C4' energy: -62.291 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -102.332 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1035.510728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.510728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.510728 (E_RNA) where: Base-Base interactions energy: -727.271 where: short stacking energy: -290.224 Base-Backbone interact. energy: 0.588 local terms energy: -308.827600 where: bonds (distance) C4'-P energy: -48.170 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -77.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -987.361798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.361798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.361798 (E_RNA) where: Base-Base interactions energy: -698.918 where: short stacking energy: -269.488 Base-Backbone interact. energy: -2.025 local terms energy: -286.418913 where: bonds (distance) C4'-P energy: -52.550 bonds (distance) P-C4' energy: -51.595 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -80.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -927.510831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.510831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.510831 (E_RNA) where: Base-Base interactions energy: -629.464 where: short stacking energy: -266.606 Base-Backbone interact. energy: 0.822 local terms energy: -298.869582 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -56.418 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -71.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -744.937748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.937748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.937748 (E_RNA) where: Base-Base interactions energy: -499.872 where: short stacking energy: -211.011 Base-Backbone interact. energy: 2.523 local terms energy: -247.588260 where: bonds (distance) C4'-P energy: -48.669 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -24.565 tors. eta vs tors. theta energy: -49.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -701.581585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.581585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.581585 (E_RNA) where: Base-Base interactions energy: -461.169 where: short stacking energy: -202.104 Base-Backbone interact. energy: 1.416 local terms energy: -241.828320 where: bonds (distance) C4'-P energy: -49.538 bonds (distance) P-C4' energy: -49.532 flat angles C4'-P-C4' energy: -59.727 flat angles P-C4'-P energy: -35.134 tors. eta vs tors. theta energy: -47.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -561.480153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.480153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.480153 (E_RNA) where: Base-Base interactions energy: -338.719 where: short stacking energy: -138.072 Base-Backbone interact. energy: -0.977 local terms energy: -221.784651 where: bonds (distance) C4'-P energy: -54.571 bonds (distance) P-C4' energy: -54.447 flat angles C4'-P-C4' energy: -51.192 flat angles P-C4'-P energy: -34.830 tors. eta vs tors. theta energy: -26.745 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: 10, replica: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -277.318749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.318749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.318749 (E_RNA) where: Base-Base interactions energy: -92.942 where: short stacking energy: -82.997 Base-Backbone interact. energy: 0.410 local terms energy: -184.786876 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -56.240 flat angles C4'-P-C4' energy: -33.695 flat angles P-C4'-P energy: -37.186 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1232.557150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.557150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.557150 (E_RNA) where: Base-Base interactions energy: -868.399 where: short stacking energy: -344.687 Base-Backbone interact. energy: -0.953 local terms energy: -363.205660 where: bonds (distance) C4'-P energy: -68.101 bonds (distance) P-C4' energy: -71.747 flat angles C4'-P-C4' energy: -73.484 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -100.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1162.176735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.176735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.176735 (E_RNA) where: Base-Base interactions energy: -811.665 where: short stacking energy: -332.765 Base-Backbone interact. energy: 2.385 local terms energy: -352.896529 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -77.980 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -105.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1094.295505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.295505 (E_RNA) where: Base-Base interactions energy: -758.921 where: short stacking energy: -321.378 Base-Backbone interact. energy: -0.765 local terms energy: -334.609233 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -51.824 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -38.181 tors. eta vs tors. theta energy: -102.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1011.461145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.461145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.461145 (E_RNA) where: Base-Base interactions energy: -681.685 where: short stacking energy: -275.083 Base-Backbone interact. energy: -3.604 local terms energy: -326.172133 where: bonds (distance) C4'-P energy: -62.147 bonds (distance) P-C4' energy: -62.445 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -84.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1017.799680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.799680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.799680 (E_RNA) where: Base-Base interactions energy: -709.128 where: short stacking energy: -270.158 Base-Backbone interact. energy: -0.112 local terms energy: -308.559433 where: bonds (distance) C4'-P energy: -56.511 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -70.617 flat angles P-C4'-P energy: -35.919 tors. eta vs tors. theta energy: -76.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -901.529691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.529691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.529691 (E_RNA) where: Base-Base interactions energy: -610.405 where: short stacking energy: -241.327 Base-Backbone interact. energy: -0.850 local terms energy: -290.274583 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -47.106 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -72.484 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: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -749.506169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.506169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.506169 (E_RNA) where: Base-Base interactions energy: -497.166 where: short stacking energy: -199.781 Base-Backbone interact. energy: 0.065 local terms energy: -252.405670 where: bonds (distance) C4'-P energy: -58.722 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -31.422 tors. eta vs tors. theta energy: -46.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -751.080537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.080537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.080537 (E_RNA) where: Base-Base interactions energy: -496.591 where: short stacking energy: -213.008 Base-Backbone interact. energy: -2.287 local terms energy: -252.202210 where: bonds (distance) C4'-P energy: -48.236 bonds (distance) P-C4' energy: -51.325 flat angles C4'-P-C4' energy: -59.232 flat angles P-C4'-P energy: -33.658 tors. eta vs tors. theta energy: -59.751 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: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -532.940082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.940082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.940082 (E_RNA) where: Base-Base interactions energy: -328.537 where: short stacking energy: -144.620 Base-Backbone interact. energy: 1.655 local terms energy: -206.058310 where: bonds (distance) C4'-P energy: -46.663 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -52.546 flat angles P-C4'-P energy: -20.220 tors. eta vs tors. theta energy: -28.594 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: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -260.853326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.853326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.853326 (E_RNA) where: Base-Base interactions energy: -117.545 where: short stacking energy: -85.418 Base-Backbone interact. energy: 3.944 local terms energy: -147.253103 where: bonds (distance) C4'-P energy: -49.495 bonds (distance) P-C4' energy: -52.810 flat angles C4'-P-C4' energy: -40.408 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: 5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1224.589910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.589910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.589910 (E_RNA) where: Base-Base interactions energy: -880.397 where: short stacking energy: -343.757 Base-Backbone interact. energy: -0.634 local terms energy: -343.558438 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -47.462 tors. eta vs tors. theta energy: -94.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1183.039978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.039978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.039978 (E_RNA) where: Base-Base interactions energy: -822.693 where: short stacking energy: -324.628 Base-Backbone interact. energy: -1.907 local terms energy: -358.439772 where: bonds (distance) C4'-P energy: -67.938 bonds (distance) P-C4' energy: -69.068 flat angles C4'-P-C4' energy: -71.879 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -101.929 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: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1088.681745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.681745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.681745 (E_RNA) where: Base-Base interactions energy: -750.555 where: short stacking energy: -312.503 Base-Backbone interact. energy: -2.093 local terms energy: -336.033908 where: bonds (distance) C4'-P energy: -65.978 bonds (distance) P-C4' energy: -70.551 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -93.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1011.871569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.871569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.871569 (E_RNA) where: Base-Base interactions energy: -688.478 where: short stacking energy: -280.813 Base-Backbone interact. energy: 0.725 local terms energy: -324.118573 where: bonds (distance) C4'-P energy: -48.516 bonds (distance) P-C4' energy: -63.036 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -57.127 tors. eta vs tors. theta energy: -85.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1011.276897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.276897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.276897 (E_RNA) where: Base-Base interactions energy: -705.169 where: short stacking energy: -285.108 Base-Backbone interact. energy: 1.503 local terms energy: -307.611268 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -60.458 flat angles P-C4'-P energy: -34.802 tors. eta vs tors. theta energy: -78.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -914.330826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.330826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.330826 (E_RNA) where: Base-Base interactions energy: -628.805 where: short stacking energy: -269.984 Base-Backbone interact. energy: -2.981 local terms energy: -282.545348 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -53.366 flat angles C4'-P-C4' energy: -62.707 flat angles P-C4'-P energy: -36.588 tors. eta vs tors. theta energy: -67.609 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: 208 Temperature: 1.200000 Total energy: -770.210313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.210313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.210313 (E_RNA) where: Base-Base interactions energy: -496.518 where: short stacking energy: -223.862 Base-Backbone interact. energy: -0.038 local terms energy: -273.653796 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -56.096 flat angles C4'-P-C4' energy: -68.509 flat angles P-C4'-P energy: -41.313 tors. eta vs tors. theta energy: -52.084 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -687.904459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.904459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.904459 (E_RNA) where: Base-Base interactions energy: -443.506 where: short stacking energy: -195.501 Base-Backbone interact. energy: 0.604 local terms energy: -245.002202 where: bonds (distance) C4'-P energy: -49.490 bonds (distance) P-C4' energy: -58.108 flat angles C4'-P-C4' energy: -55.994 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -43.753 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: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -558.817607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.817607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.817607 (E_RNA) where: Base-Base interactions energy: -333.657 where: short stacking energy: -151.044 Base-Backbone interact. energy: 1.415 local terms energy: -226.575469 where: bonds (distance) C4'-P energy: -59.876 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -57.812 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: -15.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -289.694668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.694668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.694668 (E_RNA) where: Base-Base interactions energy: -100.568 where: short stacking energy: -74.981 Base-Backbone interact. energy: -1.957 local terms energy: -187.169683 where: bonds (distance) C4'-P energy: -55.247 bonds (distance) P-C4' energy: -60.367 flat angles C4'-P-C4' energy: -42.362 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: 12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1220.548727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.548727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.548727 (E_RNA) where: Base-Base interactions energy: -865.101 where: short stacking energy: -337.343 Base-Backbone interact. energy: -0.052 local terms energy: -355.395395 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -66.386 flat angles C4'-P-C4' energy: -72.604 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -98.379 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: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1146.112879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.112879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.112879 (E_RNA) where: Base-Base interactions energy: -802.030 where: short stacking energy: -332.937 Base-Backbone interact. energy: 0.197 local terms energy: -344.279791 where: bonds (distance) C4'-P energy: -63.891 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -38.808 tors. eta vs tors. theta energy: -103.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1094.308659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.308659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.308659 (E_RNA) where: Base-Base interactions energy: -751.449 where: short stacking energy: -301.743 Base-Backbone interact. energy: -2.234 local terms energy: -340.626059 where: bonds (distance) C4'-P energy: -67.391 bonds (distance) P-C4' energy: -67.740 flat angles C4'-P-C4' energy: -68.895 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -88.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1026.657090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.657090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.657090 (E_RNA) where: Base-Base interactions energy: -702.049 where: short stacking energy: -295.883 Base-Backbone interact. energy: -0.778 local terms energy: -323.830056 where: bonds (distance) C4'-P energy: -56.508 bonds (distance) P-C4' energy: -59.433 flat angles C4'-P-C4' energy: -72.005 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -86.920 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: 209 Temperature: 1.100000 Total energy: -979.237251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.237251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.237251 (E_RNA) where: Base-Base interactions energy: -667.118 where: short stacking energy: -275.652 Base-Backbone interact. energy: -2.018 local terms energy: -310.100916 where: bonds (distance) C4'-P energy: -49.108 bonds (distance) P-C4' energy: -73.231 flat angles C4'-P-C4' energy: -75.945 flat angles P-C4'-P energy: -37.528 tors. eta vs tors. theta energy: -74.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -915.653176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.653176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.653176 (E_RNA) where: Base-Base interactions energy: -639.254 where: short stacking energy: -262.035 Base-Backbone interact. energy: -0.894 local terms energy: -275.505293 where: bonds (distance) C4'-P energy: -60.032 bonds (distance) P-C4' energy: -59.747 flat angles C4'-P-C4' energy: -55.010 flat angles P-C4'-P energy: -37.250 tors. eta vs tors. theta energy: -63.467 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: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -793.189585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.189585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.189585 (E_RNA) where: Base-Base interactions energy: -523.261 where: short stacking energy: -219.783 Base-Backbone interact. energy: -2.003 local terms energy: -267.925090 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -54.436 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: -57.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -612.209805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.209805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.209805 (E_RNA) where: Base-Base interactions energy: -362.260 where: short stacking energy: -168.453 Base-Backbone interact. energy: -3.085 local terms energy: -246.864215 where: bonds (distance) C4'-P energy: -58.881 bonds (distance) P-C4' energy: -58.531 flat angles C4'-P-C4' energy: -56.723 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -32.867 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: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -594.785025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.785025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.785025 (E_RNA) where: Base-Base interactions energy: -368.889 where: short stacking energy: -175.302 Base-Backbone interact. energy: -1.218 local terms energy: -224.678342 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -63.802 flat angles C4'-P-C4' energy: -52.526 flat angles P-C4'-P energy: -26.893 tors. eta vs tors. theta energy: -19.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -276.096476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.096476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.096476 (E_RNA) where: Base-Base interactions energy: -89.322 where: short stacking energy: -65.806 Base-Backbone interact. energy: -2.018 local terms energy: -184.756212 where: bonds (distance) C4'-P energy: -47.049 bonds (distance) P-C4' energy: -54.209 flat angles C4'-P-C4' energy: -48.300 flat angles P-C4'-P energy: -30.417 tors. eta vs tors. theta energy: -4.781 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: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1207.999658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.999658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.999658 (E_RNA) where: Base-Base interactions energy: -842.528 where: short stacking energy: -339.197 Base-Backbone interact. energy: -1.313 local terms energy: -364.158955 where: bonds (distance) C4'-P energy: -60.213 bonds (distance) P-C4' energy: -68.229 flat angles C4'-P-C4' energy: -78.620 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -103.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1132.872415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.872415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.872415 (E_RNA) where: Base-Base interactions energy: -796.600 where: short stacking energy: -328.308 Base-Backbone interact. energy: -0.112 local terms energy: -336.159568 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -62.770 flat angles C4'-P-C4' energy: -65.061 flat angles P-C4'-P energy: -42.712 tors. eta vs tors. theta energy: -99.309 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: 210 Temperature: 1.000000 Total energy: -1113.696419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.696419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.696419 (E_RNA) where: Base-Base interactions energy: -777.907 where: short stacking energy: -329.777 Base-Backbone interact. energy: -0.623 local terms energy: -335.166740 where: bonds (distance) C4'-P energy: -57.426 bonds (distance) P-C4' energy: -56.562 flat angles C4'-P-C4' energy: -70.011 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -100.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1049.851743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.851743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.851743 (E_RNA) where: Base-Base interactions energy: -740.258 where: short stacking energy: -281.598 Base-Backbone interact. energy: 1.107 local terms energy: -310.701335 where: bonds (distance) C4'-P energy: -55.905 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -45.171 tors. eta vs tors. theta energy: -83.121 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -979.732510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.732510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.732510 (E_RNA) where: Base-Base interactions energy: -690.218 where: short stacking energy: -297.625 Base-Backbone interact. energy: -0.806 local terms energy: -288.707984 where: bonds (distance) C4'-P energy: -50.520 bonds (distance) P-C4' energy: -62.168 flat angles C4'-P-C4' energy: -60.289 flat angles P-C4'-P energy: -37.448 tors. eta vs tors. theta energy: -78.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -904.474905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.474905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.474905 (E_RNA) where: Base-Base interactions energy: -602.453 where: short stacking energy: -242.308 Base-Backbone interact. energy: 0.769 local terms energy: -302.791290 where: bonds (distance) C4'-P energy: -59.093 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -65.460 flat angles P-C4'-P energy: -39.648 tors. eta vs tors. theta energy: -74.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -745.404776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.404776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.404776 (E_RNA) where: Base-Base interactions energy: -478.610 where: short stacking energy: -209.936 Base-Backbone interact. energy: -1.108 local terms energy: -265.686583 where: bonds (distance) C4'-P energy: -65.203 bonds (distance) P-C4' energy: -56.057 flat angles C4'-P-C4' energy: -52.622 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -54.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -636.952895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.952895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.952895 (E_RNA) where: Base-Base interactions energy: -388.695 where: short stacking energy: -175.207 Base-Backbone interact. energy: -1.641 local terms energy: -246.616076 where: bonds (distance) C4'-P energy: -49.636 bonds (distance) P-C4' energy: -55.888 flat angles C4'-P-C4' energy: -56.416 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: -43.700 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: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -585.501677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.501677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.501677 (E_RNA) where: Base-Base interactions energy: -371.737 where: short stacking energy: -178.385 Base-Backbone interact. energy: 3.740 local terms energy: -217.504888 where: bonds (distance) C4'-P energy: -40.132 bonds (distance) P-C4' energy: -63.699 flat angles C4'-P-C4' energy: -49.480 flat angles P-C4'-P energy: -27.783 tors. eta vs tors. theta energy: -36.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -268.214723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.214723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.214723 (E_RNA) where: Base-Base interactions energy: -80.132 where: short stacking energy: -78.247 Base-Backbone interact. energy: -0.010 local terms energy: -188.073473 where: bonds (distance) C4'-P energy: -54.885 bonds (distance) P-C4' energy: -54.791 flat angles C4'-P-C4' energy: -58.748 flat angles P-C4'-P energy: -36.694 tors. eta vs tors. theta energy: 17.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1221.454797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.454797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.454797 (E_RNA) where: Base-Base interactions energy: -874.590 where: short stacking energy: -332.044 Base-Backbone interact. energy: -2.306 local terms energy: -344.558820 where: bonds (distance) C4'-P energy: -59.093 bonds (distance) P-C4' energy: -63.873 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -101.680 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: 211 Temperature: 0.950000 Total energy: -1135.311380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.311380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.311380 (E_RNA) where: Base-Base interactions energy: -795.967 where: short stacking energy: -322.903 Base-Backbone interact. energy: -2.603 local terms energy: -336.741372 where: bonds (distance) C4'-P energy: -60.831 bonds (distance) P-C4' energy: -57.017 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -42.553 tors. eta vs tors. theta energy: -98.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1130.150101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.150101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.150101 (E_RNA) where: Base-Base interactions energy: -789.165 where: short stacking energy: -318.092 Base-Backbone interact. energy: -0.341 local terms energy: -340.644168 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -60.840 flat angles C4'-P-C4' energy: -71.691 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -97.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1047.880834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.880834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.880834 (E_RNA) where: Base-Base interactions energy: -745.447 where: short stacking energy: -292.899 Base-Backbone interact. energy: -2.278 local terms energy: -300.155322 where: bonds (distance) C4'-P energy: -54.948 bonds (distance) P-C4' energy: -51.205 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -49.849 tors. eta vs tors. theta energy: -74.812 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: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -972.342119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.342119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.342119 (E_RNA) where: Base-Base interactions energy: -670.640 where: short stacking energy: -269.322 Base-Backbone interact. energy: -1.271 local terms energy: -300.430334 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -52.962 flat angles C4'-P-C4' energy: -60.762 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -77.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -893.046487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.046487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.046487 (E_RNA) where: Base-Base interactions energy: -619.335 where: short stacking energy: -240.444 Base-Backbone interact. energy: -0.459 local terms energy: -273.253298 where: bonds (distance) C4'-P energy: -55.262 bonds (distance) P-C4' energy: -66.057 flat angles C4'-P-C4' energy: -58.759 flat angles P-C4'-P energy: -44.331 tors. eta vs tors. theta energy: -48.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -750.616441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.616441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.616441 (E_RNA) where: Base-Base interactions energy: -498.325 where: short stacking energy: -232.429 Base-Backbone interact. energy: 0.029 local terms energy: -252.320392 where: bonds (distance) C4'-P energy: -55.221 bonds (distance) P-C4' energy: -52.618 flat angles C4'-P-C4' energy: -52.247 flat angles P-C4'-P energy: -38.898 tors. eta vs tors. theta energy: -53.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -651.549529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.549529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.549529 (E_RNA) where: Base-Base interactions energy: -404.766 where: short stacking energy: -175.250 Base-Backbone interact. energy: -1.099 local terms energy: -245.683995 where: bonds (distance) C4'-P energy: -55.728 bonds (distance) P-C4' energy: -61.294 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -31.833 tors. eta vs tors. theta energy: -38.043 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: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -594.150752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.150752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.150752 (E_RNA) where: Base-Base interactions energy: -353.501 where: short stacking energy: -171.098 Base-Backbone interact. energy: 1.143 local terms energy: -241.792345 where: bonds (distance) C4'-P energy: -54.755 bonds (distance) P-C4' energy: -63.921 flat angles C4'-P-C4' energy: -59.318 flat angles P-C4'-P energy: -30.219 tors. eta vs tors. theta energy: -33.579 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: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -319.789356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.789356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.789356 (E_RNA) where: Base-Base interactions energy: -152.320 where: short stacking energy: -97.528 Base-Backbone interact. energy: -1.241 local terms energy: -166.228200 where: bonds (distance) C4'-P energy: -48.769 bonds (distance) P-C4' energy: -46.932 flat angles C4'-P-C4' energy: -34.235 flat angles P-C4'-P energy: -38.337 tors. eta vs tors. theta energy: 2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1225.826663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.826663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.826663 (E_RNA) where: Base-Base interactions energy: -862.956 where: short stacking energy: -340.069 Base-Backbone interact. energy: -1.928 local terms energy: -360.942614 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -65.415 flat angles C4'-P-C4' energy: -74.846 flat angles P-C4'-P energy: -48.070 tors. eta vs tors. theta energy: -102.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1152.770154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.770154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.770154 (E_RNA) where: Base-Base interactions energy: -801.350 where: short stacking energy: -319.344 Base-Backbone interact. energy: 0.633 local terms energy: -352.053695 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -60.269 flat angles C4'-P-C4' energy: -75.955 flat angles P-C4'-P energy: -50.966 tors. eta vs tors. theta energy: -98.693 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: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1105.615268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.615268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.615268 (E_RNA) where: Base-Base interactions energy: -787.893 where: short stacking energy: -320.777 Base-Backbone interact. energy: -1.386 local terms energy: -316.336329 where: bonds (distance) C4'-P energy: -52.921 bonds (distance) P-C4' energy: -52.077 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -39.618 tors. eta vs tors. theta energy: -96.131 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: 4, replica: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1083.013759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.013759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.013759 (E_RNA) where: Base-Base interactions energy: -771.399 where: short stacking energy: -296.741 Base-Backbone interact. energy: 2.055 local terms energy: -313.669569 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -63.537 flat angles C4'-P-C4' energy: -66.701 flat angles P-C4'-P energy: -39.227 tors. eta vs tors. theta energy: -87.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -973.651051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.651051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.651051 (E_RNA) where: Base-Base interactions energy: -648.374 where: short stacking energy: -263.375 Base-Backbone interact. energy: -3.483 local terms energy: -321.793470 where: bonds (distance) C4'-P energy: -60.931 bonds (distance) P-C4' energy: -60.319 flat angles C4'-P-C4' energy: -67.420 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -85.955 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: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -904.989458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.989458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.989458 (E_RNA) where: Base-Base interactions energy: -627.920 where: short stacking energy: -267.022 Base-Backbone interact. energy: -1.067 local terms energy: -276.002587 where: bonds (distance) C4'-P energy: -54.004 bonds (distance) P-C4' energy: -55.310 flat angles C4'-P-C4' energy: -53.590 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -70.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -763.451336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.451336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.451336 (E_RNA) where: Base-Base interactions energy: -487.083 where: short stacking energy: -214.786 Base-Backbone interact. energy: -0.671 local terms energy: -275.697400 where: bonds (distance) C4'-P energy: -55.763 bonds (distance) P-C4' energy: -58.789 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -61.538 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: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -624.226878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.226878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.226878 (E_RNA) where: Base-Base interactions energy: -410.472 where: short stacking energy: -183.793 Base-Backbone interact. energy: -0.047 local terms energy: -213.708159 where: bonds (distance) C4'-P energy: -49.901 bonds (distance) P-C4' energy: -51.480 flat angles C4'-P-C4' energy: -51.363 flat angles P-C4'-P energy: -27.429 tors. eta vs tors. theta energy: -33.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -589.635158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.635158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.635158 (E_RNA) where: Base-Base interactions energy: -358.147 where: short stacking energy: -170.870 Base-Backbone interact. energy: 6.453 local terms energy: -237.941282 where: bonds (distance) C4'-P energy: -43.299 bonds (distance) P-C4' energy: -54.378 flat angles C4'-P-C4' energy: -62.071 flat angles P-C4'-P energy: -39.916 tors. eta vs tors. theta energy: -38.277 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: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -371.085046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.085046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.085046 (E_RNA) where: Base-Base interactions energy: -193.320 where: short stacking energy: -110.711 Base-Backbone interact. energy: 1.279 local terms energy: -179.044101 where: bonds (distance) C4'-P energy: -51.437 bonds (distance) P-C4' energy: -55.799 flat angles C4'-P-C4' energy: -40.834 flat angles P-C4'-P energy: -28.696 tors. eta vs tors. theta energy: -2.278 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: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1199.070950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.070950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.070950 (E_RNA) where: Base-Base interactions energy: -854.330 where: short stacking energy: -333.502 Base-Backbone interact. energy: -0.514 local terms energy: -344.226737 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -63.346 flat angles C4'-P-C4' energy: -65.918 flat angles P-C4'-P energy: -57.090 tors. eta vs tors. theta energy: -94.939 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: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1152.836589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.836589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.836589 (E_RNA) where: Base-Base interactions energy: -792.947 where: short stacking energy: -321.177 Base-Backbone interact. energy: -1.157 local terms energy: -358.731936 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -63.267 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -98.436 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: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1079.314527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.314527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.314527 (E_RNA) where: Base-Base interactions energy: -760.775 where: short stacking energy: -306.046 Base-Backbone interact. energy: -1.499 local terms energy: -317.040466 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -57.056 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -90.856 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: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1089.076568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.076568 (E_RNA) where: Base-Base interactions energy: -780.819 where: short stacking energy: -312.553 Base-Backbone interact. energy: 1.379 local terms energy: -309.635952 where: bonds (distance) C4'-P energy: -51.874 bonds (distance) P-C4' energy: -52.698 flat angles C4'-P-C4' energy: -64.147 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -94.903 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: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -953.980003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.980003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.980003 (E_RNA) where: Base-Base interactions energy: -649.402 where: short stacking energy: -267.545 Base-Backbone interact. energy: -3.211 local terms energy: -301.366973 where: bonds (distance) C4'-P energy: -54.110 bonds (distance) P-C4' energy: -58.715 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -72.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -902.451845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.451845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.451845 (E_RNA) where: Base-Base interactions energy: -628.412 where: short stacking energy: -257.686 Base-Backbone interact. energy: 1.575 local terms energy: -275.614579 where: bonds (distance) C4'-P energy: -49.444 bonds (distance) P-C4' energy: -54.035 flat angles C4'-P-C4' energy: -67.050 flat angles P-C4'-P energy: -43.484 tors. eta vs tors. theta energy: -61.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -775.490938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.490938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.490938 (E_RNA) where: Base-Base interactions energy: -511.186 where: short stacking energy: -225.410 Base-Backbone interact. energy: -1.295 local terms energy: -263.010005 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -50.786 flat angles C4'-P-C4' energy: -51.623 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -50.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -626.721968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.721968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.721968 (E_RNA) where: Base-Base interactions energy: -392.937 where: short stacking energy: -177.695 Base-Backbone interact. energy: -1.379 local terms energy: -232.405986 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -47.184 flat angles C4'-P-C4' energy: -55.916 flat angles P-C4'-P energy: -31.187 tors. eta vs tors. theta energy: -41.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -609.621727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.621727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.621727 (E_RNA) where: Base-Base interactions energy: -400.587 where: short stacking energy: -181.661 Base-Backbone interact. energy: 0.796 local terms energy: -209.830696 where: bonds (distance) C4'-P energy: -30.886 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -57.653 flat angles P-C4'-P energy: -27.734 tors. eta vs tors. theta energy: -36.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -389.894181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.894181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.894181 (E_RNA) where: Base-Base interactions energy: -194.557 where: short stacking energy: -104.632 Base-Backbone interact. energy: 1.153 local terms energy: -196.490952 where: bonds (distance) C4'-P energy: -47.506 bonds (distance) P-C4' energy: -59.005 flat angles C4'-P-C4' energy: -57.511 flat angles P-C4'-P energy: -31.394 tors. eta vs tors. theta energy: -1.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1212.583163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.583163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.583163 (E_RNA) where: Base-Base interactions energy: -853.158 where: short stacking energy: -319.197 Base-Backbone interact. energy: -3.644 local terms energy: -355.781686 where: bonds (distance) C4'-P energy: -64.048 bonds (distance) P-C4' energy: -70.656 flat angles C4'-P-C4' energy: -77.527 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: -97.109 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: 214 Temperature: 0.950000 Total energy: -1145.992245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.992245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.992245 (E_RNA) where: Base-Base interactions energy: -798.908 where: short stacking energy: -307.862 Base-Backbone interact. energy: -1.648 local terms energy: -345.436367 where: bonds (distance) C4'-P energy: -62.975 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -91.268 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: 214 Temperature: 1.000000 Total energy: -1090.289164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.289164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.289164 (E_RNA) where: Base-Base interactions energy: -766.582 where: short stacking energy: -304.502 Base-Backbone interact. energy: -1.097 local terms energy: -322.610146 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -61.352 flat angles C4'-P-C4' energy: -66.101 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -95.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1063.718014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.718014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.718014 (E_RNA) where: Base-Base interactions energy: -741.587 where: short stacking energy: -281.606 Base-Backbone interact. energy: -0.716 local terms energy: -321.414767 where: bonds (distance) C4'-P energy: -68.203 bonds (distance) P-C4' energy: -56.829 flat angles C4'-P-C4' energy: -66.159 flat angles P-C4'-P energy: -49.784 tors. eta vs tors. theta energy: -80.440 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: 214 Temperature: 1.100000 Total energy: -965.206070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.206070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.206070 (E_RNA) where: Base-Base interactions energy: -685.652 where: short stacking energy: -261.630 Base-Backbone interact. energy: 1.284 local terms energy: -280.838479 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -45.290 flat angles C4'-P-C4' energy: -60.874 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -70.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -906.741275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.741275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.741275 (E_RNA) where: Base-Base interactions energy: -623.949 where: short stacking energy: -254.827 Base-Backbone interact. energy: -2.711 local terms energy: -280.080671 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -58.930 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -36.364 tors. eta vs tors. theta energy: -64.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -806.984584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.984584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.984584 (E_RNA) where: Base-Base interactions energy: -525.114 where: short stacking energy: -255.348 Base-Backbone interact. energy: -0.422 local terms energy: -281.448452 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -64.357 flat angles C4'-P-C4' energy: -57.124 flat angles P-C4'-P energy: -37.867 tors. eta vs tors. theta energy: -63.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -658.477253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.477253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.477253 (E_RNA) where: Base-Base interactions energy: -416.618 where: short stacking energy: -163.420 Base-Backbone interact. energy: -1.160 local terms energy: -240.699779 where: bonds (distance) C4'-P energy: -59.923 bonds (distance) P-C4' energy: -55.288 flat angles C4'-P-C4' energy: -54.829 flat angles P-C4'-P energy: -29.389 tors. eta vs tors. theta energy: -41.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -592.195940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.195940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.195940 (E_RNA) where: Base-Base interactions energy: -381.058 where: short stacking energy: -166.619 Base-Backbone interact. energy: 0.476 local terms energy: -211.613699 where: bonds (distance) C4'-P energy: -43.220 bonds (distance) P-C4' energy: -60.894 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -26.291 tors. eta vs tors. theta energy: -30.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -388.194125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.194125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.194125 (E_RNA) where: Base-Base interactions energy: -177.267 where: short stacking energy: -100.647 Base-Backbone interact. energy: 0.582 local terms energy: -211.509072 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -53.239 flat angles C4'-P-C4' energy: -53.371 flat angles P-C4'-P energy: -33.815 tors. eta vs tors. theta energy: -14.718 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: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1225.189596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.189596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.189596 (E_RNA) where: Base-Base interactions energy: -864.127 where: short stacking energy: -324.471 Base-Backbone interact. energy: 1.447 local terms energy: -362.509129 where: bonds (distance) C4'-P energy: -64.937 bonds (distance) P-C4' energy: -75.066 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -97.629 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: 215 Temperature: 0.950000 Total energy: -1153.453931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.453931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.453931 (E_RNA) where: Base-Base interactions energy: -804.597 where: short stacking energy: -323.664 Base-Backbone interact. energy: -0.472 local terms energy: -348.384867 where: bonds (distance) C4'-P energy: -69.444 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -79.531 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -97.989 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: 215 Temperature: 1.000000 Total energy: -1127.773471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.773471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.773471 (E_RNA) where: Base-Base interactions energy: -791.260 where: short stacking energy: -318.122 Base-Backbone interact. energy: -0.543 local terms energy: -335.971104 where: bonds (distance) C4'-P energy: -71.297 bonds (distance) P-C4' energy: -60.693 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -37.402 tors. eta vs tors. theta energy: -95.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1089.509428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.509428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.509428 (E_RNA) where: Base-Base interactions energy: -763.262 where: short stacking energy: -286.234 Base-Backbone interact. energy: -4.045 local terms energy: -322.201827 where: bonds (distance) C4'-P energy: -57.328 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -86.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -986.415018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.415018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.415018 (E_RNA) where: Base-Base interactions energy: -699.149 where: short stacking energy: -279.457 Base-Backbone interact. energy: 1.180 local terms energy: -288.445346 where: bonds (distance) C4'-P energy: -54.041 bonds (distance) P-C4' energy: -50.095 flat angles C4'-P-C4' energy: -64.286 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -81.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -986.073413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.073413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.073413 (E_RNA) where: Base-Base interactions energy: -678.230 where: short stacking energy: -274.856 Base-Backbone interact. energy: -0.286 local terms energy: -307.557178 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -49.759 flat angles C4'-P-C4' energy: -70.209 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -85.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -738.549397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.549397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.549397 (E_RNA) where: Base-Base interactions energy: -492.976 where: short stacking energy: -213.853 Base-Backbone interact. energy: -0.349 local terms energy: -245.224744 where: bonds (distance) C4'-P energy: -47.703 bonds (distance) P-C4' energy: -66.022 flat angles C4'-P-C4' energy: -54.723 flat angles P-C4'-P energy: -31.166 tors. eta vs tors. theta energy: -45.611 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: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -617.794387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.794387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.794387 (E_RNA) where: Base-Base interactions energy: -391.030 where: short stacking energy: -163.574 Base-Backbone interact. energy: 5.709 local terms energy: -232.472981 where: bonds (distance) C4'-P energy: -59.578 bonds (distance) P-C4' energy: -52.245 flat angles C4'-P-C4' energy: -52.071 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -28.900 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: 9, replica: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -591.094134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.094134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.094134 (E_RNA) where: Base-Base interactions energy: -355.702 where: short stacking energy: -154.150 Base-Backbone interact. energy: -1.725 local terms energy: -233.667177 where: bonds (distance) C4'-P energy: -59.830 bonds (distance) P-C4' energy: -54.677 flat angles C4'-P-C4' energy: -59.040 flat angles P-C4'-P energy: -25.452 tors. eta vs tors. theta energy: -34.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -374.634486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.634486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.634486 (E_RNA) where: Base-Base interactions energy: -191.607 where: short stacking energy: -92.799 Base-Backbone interact. energy: -0.191 local terms energy: -182.837254 where: bonds (distance) C4'-P energy: -56.407 bonds (distance) P-C4' energy: -54.930 flat angles C4'-P-C4' energy: -45.878 flat angles P-C4'-P energy: -29.155 tors. eta vs tors. theta energy: 3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1220.773250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.773250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.773250 (E_RNA) where: Base-Base interactions energy: -868.003 where: short stacking energy: -327.610 Base-Backbone interact. energy: -0.030 local terms energy: -352.740694 where: bonds (distance) C4'-P energy: -65.934 bonds (distance) P-C4' energy: -63.185 flat angles C4'-P-C4' energy: -77.642 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -94.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1148.637052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.637052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.637052 (E_RNA) where: Base-Base interactions energy: -798.267 where: short stacking energy: -320.835 Base-Backbone interact. energy: -1.624 local terms energy: -348.746608 where: bonds (distance) C4'-P energy: -64.598 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -74.388 flat angles P-C4'-P energy: -44.079 tors. eta vs tors. theta energy: -94.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1122.500367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.500367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.500367 (E_RNA) where: Base-Base interactions energy: -789.834 where: short stacking energy: -316.009 Base-Backbone interact. energy: -2.522 local terms energy: -330.143875 where: bonds (distance) C4'-P energy: -57.182 bonds (distance) P-C4' energy: -59.375 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -93.280 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: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1089.675501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.675501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.675501 (E_RNA) where: Base-Base interactions energy: -760.744 where: short stacking energy: -295.795 Base-Backbone interact. energy: -1.068 local terms energy: -327.863618 where: bonds (distance) C4'-P energy: -63.546 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -65.877 flat angles P-C4'-P energy: -49.921 tors. eta vs tors. theta energy: -93.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1010.417717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.417717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.417717 (E_RNA) where: Base-Base interactions energy: -704.340 where: short stacking energy: -282.588 Base-Backbone interact. energy: -0.605 local terms energy: -305.472532 where: bonds (distance) C4'-P energy: -57.296 bonds (distance) P-C4' energy: -58.659 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -45.293 tors. eta vs tors. theta energy: -79.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -938.175279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.175279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.175279 (E_RNA) where: Base-Base interactions energy: -645.460 where: short stacking energy: -259.619 Base-Backbone interact. energy: -0.392 local terms energy: -292.323402 where: bonds (distance) C4'-P energy: -65.600 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -55.238 flat angles P-C4'-P energy: -39.933 tors. eta vs tors. theta energy: -70.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -751.696253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.696253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.696253 (E_RNA) where: Base-Base interactions energy: -488.230 where: short stacking energy: -218.232 Base-Backbone interact. energy: -1.715 local terms energy: -261.750753 where: bonds (distance) C4'-P energy: -44.094 bonds (distance) P-C4' energy: -60.442 flat angles C4'-P-C4' energy: -66.754 flat angles P-C4'-P energy: -35.865 tors. eta vs tors. theta energy: -54.596 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: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -615.597233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.597233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.597233 (E_RNA) where: Base-Base interactions energy: -395.253 where: short stacking energy: -167.190 Base-Backbone interact. energy: -0.064 local terms energy: -220.280794 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -41.614 flat angles P-C4'-P energy: -34.470 tors. eta vs tors. theta energy: -21.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -576.024479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.024479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.024479 (E_RNA) where: Base-Base interactions energy: -341.147 where: short stacking energy: -166.483 Base-Backbone interact. energy: -1.691 local terms energy: -233.186343 where: bonds (distance) C4'-P energy: -54.130 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -59.185 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -25.899 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: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -403.486072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.486072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.486072 (E_RNA) where: Base-Base interactions energy: -214.517 where: short stacking energy: -129.114 Base-Backbone interact. energy: -0.659 local terms energy: -188.310758 where: bonds (distance) C4'-P energy: -37.629 bonds (distance) P-C4' energy: -50.283 flat angles C4'-P-C4' energy: -62.030 flat angles P-C4'-P energy: -26.506 tors. eta vs tors. theta energy: -11.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1222.772575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.772575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.772575 (E_RNA) where: Base-Base interactions energy: -869.113 where: short stacking energy: -321.614 Base-Backbone interact. energy: -1.111 local terms energy: -352.548969 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -94.828 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: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1138.169397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.169397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.169397 (E_RNA) where: Base-Base interactions energy: -796.742 where: short stacking energy: -311.446 Base-Backbone interact. energy: -1.626 local terms energy: -339.801191 where: bonds (distance) C4'-P energy: -63.375 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -66.803 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -90.437 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: 5 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1135.405122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.405122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.405122 (E_RNA) where: Base-Base interactions energy: -780.986 where: short stacking energy: -321.625 Base-Backbone interact. energy: -4.038 local terms energy: -350.381042 where: bonds (distance) C4'-P energy: -57.234 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -98.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1062.597514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.597514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.597514 (E_RNA) where: Base-Base interactions energy: -740.127 where: short stacking energy: -286.648 Base-Backbone interact. energy: -1.950 local terms energy: -320.519646 where: bonds (distance) C4'-P energy: -59.910 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -88.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1026.836123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.836123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.836123 (E_RNA) where: Base-Base interactions energy: -708.376 where: short stacking energy: -283.789 Base-Backbone interact. energy: 0.188 local terms energy: -318.648123 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -57.847 flat angles C4'-P-C4' energy: -66.238 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -84.062 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: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -942.337735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.337735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.337735 (E_RNA) where: Base-Base interactions energy: -644.889 where: short stacking energy: -272.501 Base-Backbone interact. energy: 4.050 local terms energy: -301.498738 where: bonds (distance) C4'-P energy: -56.204 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -71.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -793.367543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.367543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.367543 (E_RNA) where: Base-Base interactions energy: -516.919 where: short stacking energy: -218.027 Base-Backbone interact. energy: -1.229 local terms energy: -275.218974 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -67.160 flat angles C4'-P-C4' energy: -67.519 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: -49.980 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: 217 Temperature: 1.250000 Total energy: -624.478887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.478887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.478887 (E_RNA) where: Base-Base interactions energy: -383.160 where: short stacking energy: -185.558 Base-Backbone interact. energy: -0.909 local terms energy: -240.409795 where: bonds (distance) C4'-P energy: -50.741 bonds (distance) P-C4' energy: -58.340 flat angles C4'-P-C4' energy: -60.085 flat angles P-C4'-P energy: -36.214 tors. eta vs tors. theta energy: -35.029 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: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -564.084883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.084883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.084883 (E_RNA) where: Base-Base interactions energy: -348.811 where: short stacking energy: -161.365 Base-Backbone interact. energy: -2.200 local terms energy: -213.073092 where: bonds (distance) C4'-P energy: -42.965 bonds (distance) P-C4' energy: -44.480 flat angles C4'-P-C4' energy: -61.762 flat angles P-C4'-P energy: -22.527 tors. eta vs tors. theta energy: -41.339 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: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -388.292731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.292731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.292731 (E_RNA) where: Base-Base interactions energy: -177.150 where: short stacking energy: -92.281 Base-Backbone interact. energy: 2.597 local terms energy: -213.740012 where: bonds (distance) C4'-P energy: -54.310 bonds (distance) P-C4' energy: -56.892 flat angles C4'-P-C4' energy: -57.855 flat angles P-C4'-P energy: -35.479 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1225.690927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.690927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.690927 (E_RNA) where: Base-Base interactions energy: -860.111 where: short stacking energy: -331.152 Base-Backbone interact. energy: 1.005 local terms energy: -366.584980 where: bonds (distance) C4'-P energy: -70.281 bonds (distance) P-C4' energy: -72.958 flat angles C4'-P-C4' energy: -73.470 flat angles P-C4'-P energy: -48.376 tors. eta vs tors. theta energy: -101.500 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: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1136.993859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.993859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.993859 (E_RNA) where: Base-Base interactions energy: -799.418 where: short stacking energy: -324.549 Base-Backbone interact. energy: -1.656 local terms energy: -335.919563 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -74.231 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: -91.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1081.799738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.799738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.799738 (E_RNA) where: Base-Base interactions energy: -746.372 where: short stacking energy: -294.630 Base-Backbone interact. energy: -1.397 local terms energy: -334.031062 where: bonds (distance) C4'-P energy: -60.233 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -86.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1105.598798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.598798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.598798 (E_RNA) where: Base-Base interactions energy: -757.085 where: short stacking energy: -312.109 Base-Backbone interact. energy: 0.418 local terms energy: -348.931903 where: bonds (distance) C4'-P energy: -62.385 bonds (distance) P-C4' energy: -67.017 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -100.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1013.850961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.850961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.850961 (E_RNA) where: Base-Base interactions energy: -694.786 where: short stacking energy: -266.257 Base-Backbone interact. energy: 2.031 local terms energy: -321.096088 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -66.906 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -43.362 tors. eta vs tors. theta energy: -79.785 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: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -897.671943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.671943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.671943 (E_RNA) where: Base-Base interactions energy: -616.844 where: short stacking energy: -244.839 Base-Backbone interact. energy: 2.799 local terms energy: -283.626954 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -60.855 flat angles C4'-P-C4' energy: -62.006 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -68.986 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: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -759.076568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.076568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.076568 (E_RNA) where: Base-Base interactions energy: -491.383 where: short stacking energy: -221.409 Base-Backbone interact. energy: -0.949 local terms energy: -266.744605 where: bonds (distance) C4'-P energy: -41.560 bonds (distance) P-C4' energy: -55.338 flat angles C4'-P-C4' energy: -67.086 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: -63.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -612.279290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.279290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.279290 (E_RNA) where: Base-Base interactions energy: -361.570 where: short stacking energy: -192.259 Base-Backbone interact. energy: -1.584 local terms energy: -249.125341 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -59.739 flat angles C4'-P-C4' energy: -50.684 flat angles P-C4'-P energy: -39.838 tors. eta vs tors. theta energy: -39.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -642.096394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.096394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.096394 (E_RNA) where: Base-Base interactions energy: -404.562 where: short stacking energy: -184.645 Base-Backbone interact. energy: 0.347 local terms energy: -237.881868 where: bonds (distance) C4'-P energy: -58.724 bonds (distance) P-C4' energy: -55.655 flat angles C4'-P-C4' energy: -57.378 flat angles P-C4'-P energy: -22.739 tors. eta vs tors. theta energy: -43.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -379.754325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.754325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.754325 (E_RNA) where: Base-Base interactions energy: -190.940 where: short stacking energy: -111.365 Base-Backbone interact. energy: 0.301 local terms energy: -189.114897 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -50.136 flat angles C4'-P-C4' energy: -44.513 flat angles P-C4'-P energy: -28.363 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1227.939435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.939435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.939435 (E_RNA) where: Base-Base interactions energy: -875.131 where: short stacking energy: -339.763 Base-Backbone interact. energy: -2.024 local terms energy: -350.784822 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -56.508 flat angles C4'-P-C4' energy: -75.440 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -101.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1141.364355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.364355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.364355 (E_RNA) where: Base-Base interactions energy: -797.324 where: short stacking energy: -307.581 Base-Backbone interact. energy: 1.554 local terms energy: -345.593948 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -70.003 flat angles C4'-P-C4' energy: -65.284 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -92.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1096.989654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.989654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.989654 (E_RNA) where: Base-Base interactions energy: -770.694 where: short stacking energy: -302.319 Base-Backbone interact. energy: -1.041 local terms energy: -325.255208 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -61.051 flat angles C4'-P-C4' energy: -78.297 flat angles P-C4'-P energy: -46.042 tors. eta vs tors. theta energy: -86.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1097.545197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.545197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.545197 (E_RNA) where: Base-Base interactions energy: -768.240 where: short stacking energy: -304.580 Base-Backbone interact. energy: -0.597 local terms energy: -328.707966 where: bonds (distance) C4'-P energy: -65.184 bonds (distance) P-C4' energy: -57.159 flat angles C4'-P-C4' energy: -64.667 flat angles P-C4'-P energy: -48.340 tors. eta vs tors. theta energy: -93.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1013.957409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.957409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.957409 (E_RNA) where: Base-Base interactions energy: -710.548 where: short stacking energy: -277.604 Base-Backbone interact. energy: -1.165 local terms energy: -302.244950 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -60.326 flat angles P-C4'-P energy: -35.041 tors. eta vs tors. theta energy: -81.071 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -895.106265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.106265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.106265 (E_RNA) where: Base-Base interactions energy: -604.908 where: short stacking energy: -253.987 Base-Backbone interact. energy: 0.288 local terms energy: -290.486730 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -57.522 flat angles C4'-P-C4' energy: -61.404 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: -60.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -788.076822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.076822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.076822 (E_RNA) where: Base-Base interactions energy: -503.445 where: short stacking energy: -211.938 Base-Backbone interact. energy: -1.026 local terms energy: -283.605279 where: bonds (distance) C4'-P energy: -55.187 bonds (distance) P-C4' energy: -59.410 flat angles C4'-P-C4' energy: -70.227 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -48.262 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: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -630.103240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.103240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.103240 (E_RNA) where: Base-Base interactions energy: -405.369 where: short stacking energy: -174.205 Base-Backbone interact. energy: 3.171 local terms energy: -227.905489 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -53.806 flat angles C4'-P-C4' energy: -52.189 flat angles P-C4'-P energy: -32.942 tors. eta vs tors. theta energy: -33.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -531.476832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.476832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.476832 (E_RNA) where: Base-Base interactions energy: -324.610 where: short stacking energy: -146.097 Base-Backbone interact. energy: -0.879 local terms energy: -205.987531 where: bonds (distance) C4'-P energy: -53.473 bonds (distance) P-C4' energy: -48.837 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -19.100 tors. eta vs tors. theta energy: -23.892 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -383.399230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.399230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.399230 (E_RNA) where: Base-Base interactions energy: -193.432 where: short stacking energy: -106.569 Base-Backbone interact. energy: -0.720 local terms energy: -189.248118 where: bonds (distance) C4'-P energy: -53.885 bonds (distance) P-C4' energy: -48.621 flat angles C4'-P-C4' energy: -60.135 flat angles P-C4'-P energy: -28.273 tors. eta vs tors. theta energy: 1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1225.300926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.300926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.300926 (E_RNA) where: Base-Base interactions energy: -869.528 where: short stacking energy: -327.393 Base-Backbone interact. energy: -1.144 local terms energy: -354.629420 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -51.634 tors. eta vs tors. theta energy: -98.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1133.191518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.191518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.191518 (E_RNA) where: Base-Base interactions energy: -781.326 where: short stacking energy: -311.978 Base-Backbone interact. energy: -3.303 local terms energy: -348.562237 where: bonds (distance) C4'-P energy: -64.666 bonds (distance) P-C4' energy: -75.470 flat angles C4'-P-C4' energy: -74.092 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -87.071 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: 220 Temperature: 1.000000 Total energy: -1087.409176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.409176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.409176 (E_RNA) where: Base-Base interactions energy: -768.420 where: short stacking energy: -302.493 Base-Backbone interact. energy: -2.630 local terms energy: -316.359792 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -50.412 flat angles C4'-P-C4' energy: -75.842 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -84.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1083.361770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.361770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.361770 (E_RNA) where: Base-Base interactions energy: -740.202 where: short stacking energy: -294.599 Base-Backbone interact. energy: -0.780 local terms energy: -342.379749 where: bonds (distance) C4'-P energy: -65.249 bonds (distance) P-C4' energy: -65.450 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -45.956 tors. eta vs tors. theta energy: -94.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1034.689969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.689969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.689969 (E_RNA) where: Base-Base interactions energy: -740.246 where: short stacking energy: -286.720 Base-Backbone interact. energy: 4.314 local terms energy: -298.758749 where: bonds (distance) C4'-P energy: -51.556 bonds (distance) P-C4' energy: -52.613 flat angles C4'-P-C4' energy: -75.286 flat angles P-C4'-P energy: -39.650 tors. eta vs tors. theta energy: -79.654 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: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -900.735903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.735903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.735903 (E_RNA) where: Base-Base interactions energy: -622.949 where: short stacking energy: -256.960 Base-Backbone interact. energy: -0.850 local terms energy: -276.936582 where: bonds (distance) C4'-P energy: -47.465 bonds (distance) P-C4' energy: -61.894 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -39.130 tors. eta vs tors. theta energy: -70.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -746.596701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.596701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.596701 (E_RNA) where: Base-Base interactions energy: -496.395 where: short stacking energy: -208.821 Base-Backbone interact. energy: -2.015 local terms energy: -248.186906 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -51.091 flat angles C4'-P-C4' energy: -61.534 flat angles P-C4'-P energy: -25.678 tors. eta vs tors. theta energy: -50.722 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: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -627.858105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.858105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.858105 (E_RNA) where: Base-Base interactions energy: -399.122 where: short stacking energy: -194.046 Base-Backbone interact. energy: -0.500 local terms energy: -228.235760 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -51.947 flat angles C4'-P-C4' energy: -48.293 flat angles P-C4'-P energy: -33.563 tors. eta vs tors. theta energy: -39.534 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: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -594.303402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.303402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.303402 (E_RNA) where: Base-Base interactions energy: -354.073 where: short stacking energy: -162.235 Base-Backbone interact. energy: 2.479 local terms energy: -242.708989 where: bonds (distance) C4'-P energy: -45.889 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -63.311 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -33.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -374.946922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.946922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.946922 (E_RNA) where: Base-Base interactions energy: -186.473 where: short stacking energy: -98.385 Base-Backbone interact. energy: -0.420 local terms energy: -188.054281 where: bonds (distance) C4'-P energy: -52.879 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -43.801 flat angles P-C4'-P energy: -32.406 tors. eta vs tors. theta energy: 0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1252.440473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.440473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.440473 (E_RNA) where: Base-Base interactions energy: -890.910 where: short stacking energy: -335.149 Base-Backbone interact. energy: -2.216 local terms energy: -359.314471 where: bonds (distance) C4'-P energy: -71.169 bonds (distance) P-C4' energy: -64.717 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: -102.031 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: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1142.234270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.234270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.234270 (E_RNA) where: Base-Base interactions energy: -800.066 where: short stacking energy: -321.367 Base-Backbone interact. energy: 0.015 local terms energy: -342.183525 where: bonds (distance) C4'-P energy: -72.619 bonds (distance) P-C4' energy: -55.693 flat angles C4'-P-C4' energy: -80.842 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -88.436 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: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1082.104561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.104561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.104561 (E_RNA) where: Base-Base interactions energy: -761.555 where: short stacking energy: -294.412 Base-Backbone interact. energy: -1.576 local terms energy: -318.973155 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -62.441 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -79.856 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: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1093.785521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.785521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.785521 (E_RNA) where: Base-Base interactions energy: -752.432 where: short stacking energy: -281.368 Base-Backbone interact. energy: -2.084 local terms energy: -339.269516 where: bonds (distance) C4'-P energy: -64.337 bonds (distance) P-C4' energy: -62.860 flat angles C4'-P-C4' energy: -71.030 flat angles P-C4'-P energy: -52.156 tors. eta vs tors. theta energy: -88.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1016.625800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.625800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.625800 (E_RNA) where: Base-Base interactions energy: -706.489 where: short stacking energy: -286.785 Base-Backbone interact. energy: 0.825 local terms energy: -310.961223 where: bonds (distance) C4'-P energy: -67.451 bonds (distance) P-C4' energy: -53.364 flat angles C4'-P-C4' energy: -59.809 flat angles P-C4'-P energy: -42.814 tors. eta vs tors. theta energy: -87.523 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: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -915.186432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.186432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.186432 (E_RNA) where: Base-Base interactions energy: -642.177 where: short stacking energy: -245.390 Base-Backbone interact. energy: -2.343 local terms energy: -270.666680 where: bonds (distance) C4'-P energy: -53.964 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -53.788 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -67.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -779.740052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.740052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.740052 (E_RNA) where: Base-Base interactions energy: -517.717 where: short stacking energy: -208.788 Base-Backbone interact. energy: -2.132 local terms energy: -259.891748 where: bonds (distance) C4'-P energy: -58.539 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -35.195 tors. eta vs tors. theta energy: -35.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -603.992008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.992008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.992008 (E_RNA) where: Base-Base interactions energy: -365.671 where: short stacking energy: -162.216 Base-Backbone interact. energy: 0.370 local terms energy: -238.691492 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -52.402 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -40.468 tors. eta vs tors. theta energy: -25.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -564.988631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.988631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.988631 (E_RNA) where: Base-Base interactions energy: -343.833 where: short stacking energy: -181.532 Base-Backbone interact. energy: -1.189 local terms energy: -219.967012 where: bonds (distance) C4'-P energy: -46.551 bonds (distance) P-C4' energy: -44.696 flat angles C4'-P-C4' energy: -63.293 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -32.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -391.167919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.167919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.167919 (E_RNA) where: Base-Base interactions energy: -205.428 where: short stacking energy: -106.561 Base-Backbone interact. energy: -0.170 local terms energy: -185.570032 where: bonds (distance) C4'-P energy: -49.344 bonds (distance) P-C4' energy: -65.105 flat angles C4'-P-C4' energy: -52.498 flat angles P-C4'-P energy: -26.484 tors. eta vs tors. theta energy: 7.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1233.197495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.197495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.197495 (E_RNA) where: Base-Base interactions energy: -896.337 where: short stacking energy: -330.051 Base-Backbone interact. energy: -2.126 local terms energy: -334.733857 where: bonds (distance) C4'-P energy: -62.170 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -67.538 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: -101.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1113.963478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.963478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.963478 (E_RNA) where: Base-Base interactions energy: -779.883 where: short stacking energy: -315.641 Base-Backbone interact. energy: 2.064 local terms energy: -336.145387 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -78.129 flat angles P-C4'-P energy: -42.315 tors. eta vs tors. theta energy: -88.597 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: 222 Temperature: 1.000000 Total energy: -1142.268465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.268465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.268465 (E_RNA) where: Base-Base interactions energy: -802.204 where: short stacking energy: -318.911 Base-Backbone interact. energy: -0.911 local terms energy: -339.153406 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -67.000 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: -92.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1065.938869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.938869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.938869 (E_RNA) where: Base-Base interactions energy: -745.308 where: short stacking energy: -288.530 Base-Backbone interact. energy: -1.096 local terms energy: -319.534947 where: bonds (distance) C4'-P energy: -62.058 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -68.000 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -80.976 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: 222 Temperature: 1.100000 Total energy: -982.813099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.813099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.813099 (E_RNA) where: Base-Base interactions energy: -666.207 where: short stacking energy: -266.149 Base-Backbone interact. energy: -3.531 local terms energy: -313.075693 where: bonds (distance) C4'-P energy: -50.501 bonds (distance) P-C4' energy: -65.445 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -49.908 tors. eta vs tors. theta energy: -75.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -942.780566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.780566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.780566 (E_RNA) where: Base-Base interactions energy: -639.123 where: short stacking energy: -253.294 Base-Backbone interact. energy: 1.581 local terms energy: -305.237702 where: bonds (distance) C4'-P energy: -69.665 bonds (distance) P-C4' energy: -60.529 flat angles C4'-P-C4' energy: -63.314 flat angles P-C4'-P energy: -43.007 tors. eta vs tors. theta energy: -68.722 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: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -800.294341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.294341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.294341 (E_RNA) where: Base-Base interactions energy: -534.388 where: short stacking energy: -228.377 Base-Backbone interact. energy: -1.390 local terms energy: -264.516488 where: bonds (distance) C4'-P energy: -54.040 bonds (distance) P-C4' energy: -53.578 flat angles C4'-P-C4' energy: -65.626 flat angles P-C4'-P energy: -36.276 tors. eta vs tors. theta energy: -54.996 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: 3 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -579.396243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.396243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.396243 (E_RNA) where: Base-Base interactions energy: -339.280 where: short stacking energy: -164.842 Base-Backbone interact. energy: -2.787 local terms energy: -237.329583 where: bonds (distance) C4'-P energy: -58.344 bonds (distance) P-C4' energy: -51.365 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -34.371 tors. eta vs tors. theta energy: -33.910 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: 6 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -568.154080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.154080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.154080 (E_RNA) where: Base-Base interactions energy: -341.152 where: short stacking energy: -163.596 Base-Backbone interact. energy: 0.137 local terms energy: -227.138965 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -50.490 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -36.631 tors. eta vs tors. theta energy: -20.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -384.000185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.000185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.000185 (E_RNA) where: Base-Base interactions energy: -175.649 where: short stacking energy: -95.177 Base-Backbone interact. energy: -0.825 local terms energy: -207.526820 where: bonds (distance) C4'-P energy: -56.570 bonds (distance) P-C4' energy: -65.575 flat angles C4'-P-C4' energy: -56.702 flat angles P-C4'-P energy: -27.250 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1223.149914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.149914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.149914 (E_RNA) where: Base-Base interactions energy: -875.171 where: short stacking energy: -333.749 Base-Backbone interact. energy: -2.949 local terms energy: -345.030104 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -74.444 flat angles P-C4'-P energy: -52.351 tors. eta vs tors. theta energy: -95.195 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: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1111.068837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.068837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.068837 (E_RNA) where: Base-Base interactions energy: -772.266 where: short stacking energy: -306.879 Base-Backbone interact. energy: -2.011 local terms energy: -336.791779 where: bonds (distance) C4'-P energy: -53.097 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -39.452 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1119.677439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.677439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.677439 (E_RNA) where: Base-Base interactions energy: -784.345 where: short stacking energy: -315.191 Base-Backbone interact. energy: -1.972 local terms energy: -333.360794 where: bonds (distance) C4'-P energy: -57.312 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -72.560 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -91.503 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: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1077.755852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.755852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.755852 (E_RNA) where: Base-Base interactions energy: -750.057 where: short stacking energy: -297.603 Base-Backbone interact. energy: -0.705 local terms energy: -326.993540 where: bonds (distance) C4'-P energy: -63.994 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: -91.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1005.800828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.800828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.800828 (E_RNA) where: Base-Base interactions energy: -713.220 where: short stacking energy: -283.264 Base-Backbone interact. energy: 3.130 local terms energy: -295.710667 where: bonds (distance) C4'-P energy: -48.056 bonds (distance) P-C4' energy: -59.050 flat angles C4'-P-C4' energy: -71.260 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -73.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -930.663357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.663357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.663357 (E_RNA) where: Base-Base interactions energy: -626.484 where: short stacking energy: -265.655 Base-Backbone interact. energy: -1.556 local terms energy: -302.623374 where: bonds (distance) C4'-P energy: -63.064 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -70.455 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: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -792.627538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.627538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.627538 (E_RNA) where: Base-Base interactions energy: -514.859 where: short stacking energy: -232.833 Base-Backbone interact. energy: 0.603 local terms energy: -278.371842 where: bonds (distance) C4'-P energy: -58.511 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -51.888 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -66.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -566.703638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.703638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.703638 (E_RNA) where: Base-Base interactions energy: -354.278 where: short stacking energy: -165.120 Base-Backbone interact. energy: 0.083 local terms energy: -212.508638 where: bonds (distance) C4'-P energy: -47.698 bonds (distance) P-C4' energy: -56.006 flat angles C4'-P-C4' energy: -58.886 flat angles P-C4'-P energy: -28.777 tors. eta vs tors. theta energy: -21.141 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: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -558.851913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.851913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.851913 (E_RNA) where: Base-Base interactions energy: -356.998 where: short stacking energy: -155.068 Base-Backbone interact. energy: 0.195 local terms energy: -202.048682 where: bonds (distance) C4'-P energy: -52.230 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -58.370 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: -21.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -382.361610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.361610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.361610 (E_RNA) where: Base-Base interactions energy: -184.678 where: short stacking energy: -107.583 Base-Backbone interact. energy: -0.516 local terms energy: -197.167810 where: bonds (distance) C4'-P energy: -50.380 bonds (distance) P-C4' energy: -48.052 flat angles C4'-P-C4' energy: -58.518 flat angles P-C4'-P energy: -32.012 tors. eta vs tors. theta energy: -8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1222.629014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.629014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.629014 (E_RNA) where: Base-Base interactions energy: -872.718 where: short stacking energy: -330.402 Base-Backbone interact. energy: -2.921 local terms energy: -346.990495 where: bonds (distance) C4'-P energy: -64.851 bonds (distance) P-C4' energy: -70.848 flat angles C4'-P-C4' energy: -76.679 flat angles P-C4'-P energy: -41.335 tors. eta vs tors. theta energy: -93.278 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: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1134.639256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.639256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.639256 (E_RNA) where: Base-Base interactions energy: -798.846 where: short stacking energy: -321.158 Base-Backbone interact. energy: -2.025 local terms energy: -333.768090 where: bonds (distance) C4'-P energy: -59.468 bonds (distance) P-C4' energy: -62.468 flat angles C4'-P-C4' energy: -74.125 flat angles P-C4'-P energy: -52.154 tors. eta vs tors. theta energy: -85.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1124.343367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.343367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.343367 (E_RNA) where: Base-Base interactions energy: -767.070 where: short stacking energy: -310.626 Base-Backbone interact. energy: -2.814 local terms energy: -354.459218 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -58.981 flat angles C4'-P-C4' energy: -69.295 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -102.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1055.109387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.109387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.109387 (E_RNA) where: Base-Base interactions energy: -741.091 where: short stacking energy: -283.677 Base-Backbone interact. energy: 1.038 local terms energy: -315.057047 where: bonds (distance) C4'-P energy: -56.420 bonds (distance) P-C4' energy: -60.190 flat angles C4'-P-C4' energy: -60.624 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -86.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1001.069244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.069244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.069244 (E_RNA) where: Base-Base interactions energy: -703.377 where: short stacking energy: -289.770 Base-Backbone interact. energy: -1.829 local terms energy: -295.863204 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -51.489 flat angles C4'-P-C4' energy: -73.106 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -72.097 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: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -922.442443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.442443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.442443 (E_RNA) where: Base-Base interactions energy: -637.317 where: short stacking energy: -259.544 Base-Backbone interact. energy: 1.985 local terms energy: -287.110577 where: bonds (distance) C4'-P energy: -54.598 bonds (distance) P-C4' energy: -54.699 flat angles C4'-P-C4' energy: -65.532 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -65.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -757.299303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.299303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.299303 (E_RNA) where: Base-Base interactions energy: -486.723 where: short stacking energy: -210.161 Base-Backbone interact. energy: -1.218 local terms energy: -269.358022 where: bonds (distance) C4'-P energy: -66.195 bonds (distance) P-C4' energy: -55.782 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -26.099 tors. eta vs tors. theta energy: -57.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -617.010570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.010570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.010570 (E_RNA) where: Base-Base interactions energy: -373.940 where: short stacking energy: -174.702 Base-Backbone interact. energy: -0.870 local terms energy: -242.200848 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -57.762 flat angles C4'-P-C4' energy: -65.531 flat angles P-C4'-P energy: -30.414 tors. eta vs tors. theta energy: -32.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -567.237977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.237977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.237977 (E_RNA) where: Base-Base interactions energy: -339.844 where: short stacking energy: -163.603 Base-Backbone interact. energy: -1.458 local terms energy: -225.935939 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -61.450 flat angles C4'-P-C4' energy: -59.535 flat angles P-C4'-P energy: -26.393 tors. eta vs tors. theta energy: -23.065 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: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -385.022136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.022136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.022136 (E_RNA) where: Base-Base interactions energy: -200.337 where: short stacking energy: -123.097 Base-Backbone interact. energy: 4.424 local terms energy: -189.109100 where: bonds (distance) C4'-P energy: -40.613 bonds (distance) P-C4' energy: -56.450 flat angles C4'-P-C4' energy: -52.764 flat angles P-C4'-P energy: -24.331 tors. eta vs tors. theta energy: -14.951 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: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1232.908298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.908298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.908298 (E_RNA) where: Base-Base interactions energy: -877.366 where: short stacking energy: -340.750 Base-Backbone interact. energy: -1.588 local terms energy: -353.954620 where: bonds (distance) C4'-P energy: -71.820 bonds (distance) P-C4' energy: -65.906 flat angles C4'-P-C4' energy: -79.410 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -97.708 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: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1145.540864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.540864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.540864 (E_RNA) where: Base-Base interactions energy: -789.202 where: short stacking energy: -318.763 Base-Backbone interact. energy: 3.066 local terms energy: -359.404355 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -70.295 flat angles C4'-P-C4' energy: -75.490 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -100.962 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: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1112.347353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.347353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.347353 (E_RNA) where: Base-Base interactions energy: -776.489 where: short stacking energy: -297.223 Base-Backbone interact. energy: 6.194 local terms energy: -342.052219 where: bonds (distance) C4'-P energy: -61.436 bonds (distance) P-C4' energy: -71.568 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -48.280 tors. eta vs tors. theta energy: -90.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1049.761428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.761428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.761428 (E_RNA) where: Base-Base interactions energy: -726.683 where: short stacking energy: -284.744 Base-Backbone interact. energy: 2.449 local terms energy: -325.527453 where: bonds (distance) C4'-P energy: -59.810 bonds (distance) P-C4' energy: -67.007 flat angles C4'-P-C4' energy: -74.264 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -79.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -992.170267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.170267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.170267 (E_RNA) where: Base-Base interactions energy: -685.981 where: short stacking energy: -275.650 Base-Backbone interact. energy: -2.943 local terms energy: -303.245875 where: bonds (distance) C4'-P energy: -52.928 bonds (distance) P-C4' energy: -58.351 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -78.130 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: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -922.374161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.374161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.374161 (E_RNA) where: Base-Base interactions energy: -632.886 where: short stacking energy: -252.940 Base-Backbone interact. energy: 1.327 local terms energy: -290.814500 where: bonds (distance) C4'-P energy: -65.937 bonds (distance) P-C4' energy: -63.860 flat angles C4'-P-C4' energy: -57.096 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -60.701 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: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -796.143355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.143355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.143355 (E_RNA) where: Base-Base interactions energy: -522.002 where: short stacking energy: -234.465 Base-Backbone interact. energy: 1.300 local terms energy: -275.441486 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -54.750 flat angles C4'-P-C4' energy: -46.662 flat angles P-C4'-P energy: -52.757 tors. eta vs tors. theta energy: -64.858 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: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -574.582254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.582254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.582254 (E_RNA) where: Base-Base interactions energy: -348.094 where: short stacking energy: -176.040 Base-Backbone interact. energy: -1.029 local terms energy: -225.459316 where: bonds (distance) C4'-P energy: -50.715 bonds (distance) P-C4' energy: -56.688 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -28.099 tors. eta vs tors. theta energy: -26.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -519.140930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.140930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.140930 (E_RNA) where: Base-Base interactions energy: -304.341 where: short stacking energy: -148.350 Base-Backbone interact. energy: -2.322 local terms energy: -212.478146 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -57.291 flat angles C4'-P-C4' energy: -54.460 flat angles P-C4'-P energy: -22.153 tors. eta vs tors. theta energy: -21.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -376.187979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.187979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.187979 (E_RNA) where: Base-Base interactions energy: -171.917 where: short stacking energy: -103.143 Base-Backbone interact. energy: -0.123 local terms energy: -204.147920 where: bonds (distance) C4'-P energy: -56.713 bonds (distance) P-C4' energy: -64.407 flat angles C4'-P-C4' energy: -42.748 flat angles P-C4'-P energy: -33.571 tors. eta vs tors. theta energy: -6.708 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: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1228.584317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.584317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.584317 (E_RNA) where: Base-Base interactions energy: -858.723 where: short stacking energy: -323.312 Base-Backbone interact. energy: -1.259 local terms energy: -368.601449 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -76.748 flat angles P-C4'-P energy: -51.814 tors. eta vs tors. theta energy: -96.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1158.208817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.208817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.208817 (E_RNA) where: Base-Base interactions energy: -810.205 where: short stacking energy: -334.672 Base-Backbone interact. energy: 1.273 local terms energy: -349.276674 where: bonds (distance) C4'-P energy: -64.225 bonds (distance) P-C4' energy: -70.862 flat angles C4'-P-C4' energy: -74.222 flat angles P-C4'-P energy: -48.176 tors. eta vs tors. theta energy: -91.793 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1095.551060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.551060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.551060 (E_RNA) where: Base-Base interactions energy: -768.457 where: short stacking energy: -312.406 Base-Backbone interact. energy: -3.395 local terms energy: -323.699395 where: bonds (distance) C4'-P energy: -52.410 bonds (distance) P-C4' energy: -57.999 flat angles C4'-P-C4' energy: -74.869 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -88.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1067.727811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.727811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.727811 (E_RNA) where: Base-Base interactions energy: -729.936 where: short stacking energy: -281.002 Base-Backbone interact. energy: -2.366 local terms energy: -335.426141 where: bonds (distance) C4'-P energy: -58.222 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -69.574 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -95.918 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: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -951.284131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.284131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.284131 (E_RNA) where: Base-Base interactions energy: -658.214 where: short stacking energy: -263.851 Base-Backbone interact. energy: -0.874 local terms energy: -292.196291 where: bonds (distance) C4'-P energy: -63.335 bonds (distance) P-C4' energy: -51.846 flat angles C4'-P-C4' energy: -63.921 flat angles P-C4'-P energy: -33.393 tors. eta vs tors. theta energy: -79.701 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: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -955.054304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.054304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.054304 (E_RNA) where: Base-Base interactions energy: -665.732 where: short stacking energy: -276.491 Base-Backbone interact. energy: 0.322 local terms energy: -289.644760 where: bonds (distance) C4'-P energy: -37.907 bonds (distance) P-C4' energy: -57.251 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -44.062 tors. eta vs tors. theta energy: -79.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -732.542095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.542095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.542095 (E_RNA) where: Base-Base interactions energy: -474.925 where: short stacking energy: -221.185 Base-Backbone interact. energy: -2.181 local terms energy: -255.435430 where: bonds (distance) C4'-P energy: -57.217 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -55.377 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: -46.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -595.747616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.747616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.747616 (E_RNA) where: Base-Base interactions energy: -373.908 where: short stacking energy: -149.615 Base-Backbone interact. energy: 0.912 local terms energy: -222.752047 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -56.539 flat angles C4'-P-C4' energy: -49.511 flat angles P-C4'-P energy: -35.663 tors. eta vs tors. theta energy: -26.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -530.860015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.860015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.860015 (E_RNA) where: Base-Base interactions energy: -298.993 where: short stacking energy: -149.102 Base-Backbone interact. energy: -0.944 local terms energy: -230.923818 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -59.623 flat angles C4'-P-C4' energy: -45.455 flat angles P-C4'-P energy: -38.225 tors. eta vs tors. theta energy: -24.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -372.891287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.891287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.891287 (E_RNA) where: Base-Base interactions energy: -183.923 where: short stacking energy: -115.528 Base-Backbone interact. energy: -1.215 local terms energy: -187.752691 where: bonds (distance) C4'-P energy: -46.736 bonds (distance) P-C4' energy: -49.333 flat angles C4'-P-C4' energy: -55.526 flat angles P-C4'-P energy: -27.405 tors. eta vs tors. theta energy: -8.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1231.105410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.105410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.105410 (E_RNA) where: Base-Base interactions energy: -884.800 where: short stacking energy: -329.006 Base-Backbone interact. energy: -1.936 local terms energy: -344.370099 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -54.154 flat angles C4'-P-C4' energy: -71.894 flat angles P-C4'-P energy: -51.719 tors. eta vs tors. theta energy: -100.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1154.200589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.200589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.200589 (E_RNA) where: Base-Base interactions energy: -812.181 where: short stacking energy: -329.426 Base-Backbone interact. energy: 0.161 local terms energy: -342.180482 where: bonds (distance) C4'-P energy: -71.508 bonds (distance) P-C4' energy: -46.230 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -103.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1103.602597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.602597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.602597 (E_RNA) where: Base-Base interactions energy: -780.085 where: short stacking energy: -314.196 Base-Backbone interact. energy: 1.356 local terms energy: -324.873912 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -64.256 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -91.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1066.477778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.477778 (E_RNA) where: Base-Base interactions energy: -739.967 where: short stacking energy: -282.912 Base-Backbone interact. energy: -1.542 local terms energy: -324.968773 where: bonds (distance) C4'-P energy: -56.481 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -68.726 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -94.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -964.993798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.993798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.993798 (E_RNA) where: Base-Base interactions energy: -649.533 where: short stacking energy: -273.827 Base-Backbone interact. energy: -1.772 local terms energy: -313.688053 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -58.550 flat angles C4'-P-C4' energy: -68.348 flat angles P-C4'-P energy: -42.773 tors. eta vs tors. theta energy: -77.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1008.497829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.497829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.497829 (E_RNA) where: Base-Base interactions energy: -701.939 where: short stacking energy: -290.545 Base-Backbone interact. energy: -2.794 local terms energy: -303.764519 where: bonds (distance) C4'-P energy: -47.418 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -47.245 tors. eta vs tors. theta energy: -81.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -762.122097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.122097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.122097 (E_RNA) where: Base-Base interactions energy: -516.033 where: short stacking energy: -218.593 Base-Backbone interact. energy: -0.583 local terms energy: -245.506937 where: bonds (distance) C4'-P energy: -50.325 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -20.815 tors. eta vs tors. theta energy: -47.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -601.830193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.830193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.830193 (E_RNA) where: Base-Base interactions energy: -370.791 where: short stacking energy: -174.527 Base-Backbone interact. energy: -0.643 local terms energy: -230.395397 where: bonds (distance) C4'-P energy: -48.228 bonds (distance) P-C4' energy: -57.462 flat angles C4'-P-C4' energy: -63.775 flat angles P-C4'-P energy: -32.722 tors. eta vs tors. theta energy: -28.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -564.715923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.715923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.715923 (E_RNA) where: Base-Base interactions energy: -339.072 where: short stacking energy: -155.913 Base-Backbone interact. energy: -0.987 local terms energy: -224.656224 where: bonds (distance) C4'-P energy: -66.367 bonds (distance) P-C4' energy: -49.070 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -35.256 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -379.549751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.549751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.549751 (E_RNA) where: Base-Base interactions energy: -190.329 where: short stacking energy: -112.049 Base-Backbone interact. energy: 0.994 local terms energy: -190.214478 where: bonds (distance) C4'-P energy: -57.202 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -37.648 flat angles P-C4'-P energy: -26.214 tors. eta vs tors. theta energy: -10.154 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: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1243.762783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.762783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.762783 (E_RNA) where: Base-Base interactions energy: -893.840 where: short stacking energy: -345.973 Base-Backbone interact. energy: -1.929 local terms energy: -347.993221 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -72.903 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: -102.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1151.812426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.812426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.812426 (E_RNA) where: Base-Base interactions energy: -788.250 where: short stacking energy: -322.413 Base-Backbone interact. energy: -0.998 local terms energy: -362.564634 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -63.962 flat angles C4'-P-C4' energy: -71.927 flat angles P-C4'-P energy: -60.410 tors. eta vs tors. theta energy: -95.671 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: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1133.955577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.955577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.955577 (E_RNA) where: Base-Base interactions energy: -823.139 where: short stacking energy: -317.650 Base-Backbone interact. energy: 0.892 local terms energy: -311.709054 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -65.993 flat angles P-C4'-P energy: -36.108 tors. eta vs tors. theta energy: -87.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1061.436513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.436513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.436513 (E_RNA) where: Base-Base interactions energy: -720.443 where: short stacking energy: -291.890 Base-Backbone interact. energy: -0.725 local terms energy: -340.268619 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -72.208 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -44.209 tors. eta vs tors. theta energy: -85.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -984.703554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.703554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.703554 (E_RNA) where: Base-Base interactions energy: -692.704 where: short stacking energy: -272.978 Base-Backbone interact. energy: -2.160 local terms energy: -289.839206 where: bonds (distance) C4'-P energy: -54.133 bonds (distance) P-C4' energy: -62.228 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -70.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -938.879602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.879602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.879602 (E_RNA) where: Base-Base interactions energy: -647.146 where: short stacking energy: -266.759 Base-Backbone interact. energy: -0.886 local terms energy: -290.848183 where: bonds (distance) C4'-P energy: -55.955 bonds (distance) P-C4' energy: -59.311 flat angles C4'-P-C4' energy: -73.917 flat angles P-C4'-P energy: -32.872 tors. eta vs tors. theta energy: -68.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -808.594921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.594921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.594921 (E_RNA) where: Base-Base interactions energy: -541.969 where: short stacking energy: -236.365 Base-Backbone interact. energy: -0.786 local terms energy: -265.839996 where: bonds (distance) C4'-P energy: -55.915 bonds (distance) P-C4' energy: -51.540 flat angles C4'-P-C4' energy: -57.291 flat angles P-C4'-P energy: -32.261 tors. eta vs tors. theta energy: -68.833 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: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -578.128554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.128554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.128554 (E_RNA) where: Base-Base interactions energy: -329.433 where: short stacking energy: -157.617 Base-Backbone interact. energy: 2.656 local terms energy: -251.351129 where: bonds (distance) C4'-P energy: -69.523 bonds (distance) P-C4' energy: -51.679 flat angles C4'-P-C4' energy: -59.952 flat angles P-C4'-P energy: -41.211 tors. eta vs tors. theta energy: -28.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -609.846424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.846424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.846424 (E_RNA) where: Base-Base interactions energy: -375.455 where: short stacking energy: -170.292 Base-Backbone interact. energy: -1.750 local terms energy: -232.642147 where: bonds (distance) C4'-P energy: -56.516 bonds (distance) P-C4' energy: -48.909 flat angles C4'-P-C4' energy: -52.253 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -36.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -446.008226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.008226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.008226 (E_RNA) where: Base-Base interactions energy: -262.982 where: short stacking energy: -126.263 Base-Backbone interact. energy: 1.909 local terms energy: -184.935052 where: bonds (distance) C4'-P energy: -45.279 bonds (distance) P-C4' energy: -41.737 flat angles C4'-P-C4' energy: -50.664 flat angles P-C4'-P energy: -34.487 tors. eta vs tors. theta energy: -12.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1222.066207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.066207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.066207 (E_RNA) where: Base-Base interactions energy: -866.472 where: short stacking energy: -338.184 Base-Backbone interact. energy: -0.820 local terms energy: -354.774207 where: bonds (distance) C4'-P energy: -65.409 bonds (distance) P-C4' energy: -69.545 flat angles C4'-P-C4' energy: -76.696 flat angles P-C4'-P energy: -44.480 tors. eta vs tors. theta energy: -98.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1135.557685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.557685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.557685 (E_RNA) where: Base-Base interactions energy: -782.895 where: short stacking energy: -325.481 Base-Backbone interact. energy: -4.345 local terms energy: -348.318193 where: bonds (distance) C4'-P energy: -67.170 bonds (distance) P-C4' energy: -66.905 flat angles C4'-P-C4' energy: -73.330 flat angles P-C4'-P energy: -41.594 tors. eta vs tors. theta energy: -99.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1132.231998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.231998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.231998 (E_RNA) where: Base-Base interactions energy: -822.797 where: short stacking energy: -297.698 Base-Backbone interact. energy: 0.920 local terms energy: -310.354975 where: bonds (distance) C4'-P energy: -58.647 bonds (distance) P-C4' energy: -65.390 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -86.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1064.943039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.943039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.943039 (E_RNA) where: Base-Base interactions energy: -750.408 where: short stacking energy: -289.863 Base-Backbone interact. energy: -1.617 local terms energy: -312.917890 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -46.078 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -92.842 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: 229 Temperature: 1.100000 Total energy: -992.915290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.915290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.915290 (E_RNA) where: Base-Base interactions energy: -711.726 where: short stacking energy: -273.204 Base-Backbone interact. energy: 1.953 local terms energy: -283.142049 where: bonds (distance) C4'-P energy: -44.592 bonds (distance) P-C4' energy: -60.677 flat angles C4'-P-C4' energy: -55.134 flat angles P-C4'-P energy: -43.326 tors. eta vs tors. theta energy: -79.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -922.290624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.290624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.290624 (E_RNA) where: Base-Base interactions energy: -635.243 where: short stacking energy: -242.237 Base-Backbone interact. energy: -0.864 local terms energy: -286.183837 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -57.649 flat angles C4'-P-C4' energy: -59.683 flat angles P-C4'-P energy: -42.201 tors. eta vs tors. theta energy: -64.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -829.594284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.594284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.594284 (E_RNA) where: Base-Base interactions energy: -527.071 where: short stacking energy: -234.298 Base-Backbone interact. energy: 1.446 local terms energy: -303.968576 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -48.932 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -76.339 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: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -590.061518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.061518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.061518 (E_RNA) where: Base-Base interactions energy: -354.398 where: short stacking energy: -162.944 Base-Backbone interact. energy: -1.119 local terms energy: -234.544640 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -50.947 flat angles C4'-P-C4' energy: -53.783 flat angles P-C4'-P energy: -35.369 tors. eta vs tors. theta energy: -34.256 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: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -568.519908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.519908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.519908 (E_RNA) where: Base-Base interactions energy: -342.836 where: short stacking energy: -169.358 Base-Backbone interact. energy: -2.611 local terms energy: -223.072625 where: bonds (distance) C4'-P energy: -55.870 bonds (distance) P-C4' energy: -58.758 flat angles C4'-P-C4' energy: -37.934 flat angles P-C4'-P energy: -34.773 tors. eta vs tors. theta energy: -35.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -479.127794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.127794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.127794 (E_RNA) where: Base-Base interactions energy: -274.396 where: short stacking energy: -120.931 Base-Backbone interact. energy: 1.576 local terms energy: -206.308162 where: bonds (distance) C4'-P energy: -52.671 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -46.175 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -5.301 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: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1150.896488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.896488 (E_RNA) where: Base-Base interactions energy: -784.885 where: short stacking energy: -313.994 Base-Backbone interact. energy: -0.723 local terms energy: -365.288214 where: bonds (distance) C4'-P energy: -71.809 bonds (distance) P-C4' energy: -77.901 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -101.100 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1188.026976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.026976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.026976 (E_RNA) where: Base-Base interactions energy: -843.630 where: short stacking energy: -314.303 Base-Backbone interact. energy: -1.812 local terms energy: -342.585001 where: bonds (distance) C4'-P energy: -70.018 bonds (distance) P-C4' energy: -56.752 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: -95.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1130.794891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.794891 (E_RNA) where: Base-Base interactions energy: -802.798 where: short stacking energy: -311.686 Base-Backbone interact. energy: 1.790 local terms energy: -329.787658 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -66.483 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -89.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1078.643160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.643160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.643160 (E_RNA) where: Base-Base interactions energy: -761.681 where: short stacking energy: -294.269 Base-Backbone interact. energy: 2.147 local terms energy: -319.109952 where: bonds (distance) C4'-P energy: -38.276 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -73.116 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -93.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -968.014966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.014966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.014966 (E_RNA) where: Base-Base interactions energy: -679.116 where: short stacking energy: -259.730 Base-Backbone interact. energy: -0.735 local terms energy: -288.163823 where: bonds (distance) C4'-P energy: -54.501 bonds (distance) P-C4' energy: -52.686 flat angles C4'-P-C4' energy: -63.946 flat angles P-C4'-P energy: -33.881 tors. eta vs tors. theta energy: -83.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -944.329584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.329584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.329584 (E_RNA) where: Base-Base interactions energy: -641.934 where: short stacking energy: -261.750 Base-Backbone interact. energy: -2.908 local terms energy: -299.487296 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -58.095 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -78.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -800.198154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.198154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.198154 (E_RNA) where: Base-Base interactions energy: -521.240 where: short stacking energy: -230.887 Base-Backbone interact. energy: -1.262 local terms energy: -277.696268 where: bonds (distance) C4'-P energy: -44.385 bonds (distance) P-C4' energy: -63.219 flat angles C4'-P-C4' energy: -63.067 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -66.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -611.965020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.965020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.965020 (E_RNA) where: Base-Base interactions energy: -378.801 where: short stacking energy: -160.641 Base-Backbone interact. energy: -0.543 local terms energy: -232.621217 where: bonds (distance) C4'-P energy: -59.637 bonds (distance) P-C4' energy: -52.714 flat angles C4'-P-C4' energy: -40.991 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -38.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -564.620695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.620695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.620695 (E_RNA) where: Base-Base interactions energy: -362.857 where: short stacking energy: -161.088 Base-Backbone interact. energy: 0.787 local terms energy: -202.551039 where: bonds (distance) C4'-P energy: -46.078 bonds (distance) P-C4' energy: -52.580 flat angles C4'-P-C4' energy: -58.119 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -9.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -454.311677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.311677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.311677 (E_RNA) where: Base-Base interactions energy: -255.033 where: short stacking energy: -114.311 Base-Backbone interact. energy: -2.402 local terms energy: -196.876550 where: bonds (distance) C4'-P energy: -44.734 bonds (distance) P-C4' energy: -55.472 flat angles C4'-P-C4' energy: -51.013 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1160.475954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.475954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.475954 (E_RNA) where: Base-Base interactions energy: -792.883 where: short stacking energy: -317.658 Base-Backbone interact. energy: -0.202 local terms energy: -367.391046 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -79.431 flat angles C4'-P-C4' energy: -77.354 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -97.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1201.400983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.400983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.400983 (E_RNA) where: Base-Base interactions energy: -857.099 where: short stacking energy: -331.387 Base-Backbone interact. energy: -0.394 local terms energy: -343.907958 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -73.243 flat angles C4'-P-C4' energy: -64.075 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -97.170 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: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1128.927503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.927503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.927503 (E_RNA) where: Base-Base interactions energy: -797.656 where: short stacking energy: -304.574 Base-Backbone interact. energy: -2.230 local terms energy: -329.041524 where: bonds (distance) C4'-P energy: -63.304 bonds (distance) P-C4' energy: -49.347 flat angles C4'-P-C4' energy: -76.037 flat angles P-C4'-P energy: -51.960 tors. eta vs tors. theta energy: -88.393 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: 231 Temperature: 1.050000 Total energy: -1069.444400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.444400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.444400 (E_RNA) where: Base-Base interactions energy: -745.097 where: short stacking energy: -301.717 Base-Backbone interact. energy: -0.958 local terms energy: -323.390238 where: bonds (distance) C4'-P energy: -49.117 bonds (distance) P-C4' energy: -71.508 flat angles C4'-P-C4' energy: -68.956 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: -89.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -957.532711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.532711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.532711 (E_RNA) where: Base-Base interactions energy: -662.687 where: short stacking energy: -275.556 Base-Backbone interact. energy: -0.596 local terms energy: -294.249344 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -47.497 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -36.314 tors. eta vs tors. theta energy: -83.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -933.395529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.395529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.395529 (E_RNA) where: Base-Base interactions energy: -634.331 where: short stacking energy: -251.290 Base-Backbone interact. energy: 3.212 local terms energy: -302.276221 where: bonds (distance) C4'-P energy: -49.708 bonds (distance) P-C4' energy: -60.055 flat angles C4'-P-C4' energy: -75.836 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -73.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -785.141463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.141463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.141463 (E_RNA) where: Base-Base interactions energy: -512.409 where: short stacking energy: -213.046 Base-Backbone interact. energy: -1.502 local terms energy: -271.230359 where: bonds (distance) C4'-P energy: -53.274 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -58.510 flat angles P-C4'-P energy: -43.618 tors. eta vs tors. theta energy: -58.443 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -626.460132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.460132 (E_RNA) where: Base-Base interactions energy: -378.621 where: short stacking energy: -166.041 Base-Backbone interact. energy: -1.964 local terms energy: -245.875426 where: bonds (distance) C4'-P energy: -58.254 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -61.262 flat angles P-C4'-P energy: -30.737 tors. eta vs tors. theta energy: -32.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -592.821457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.821457 (E_RNA) where: Base-Base interactions energy: -349.819 where: short stacking energy: -159.478 Base-Backbone interact. energy: -1.845 local terms energy: -241.157507 where: bonds (distance) C4'-P energy: -62.424 bonds (distance) P-C4' energy: -56.973 flat angles C4'-P-C4' energy: -59.034 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -26.090 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: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -415.419243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.419243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.419243 (E_RNA) where: Base-Base interactions energy: -210.184 where: short stacking energy: -100.020 Base-Backbone interact. energy: 0.456 local terms energy: -205.690766 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -59.910 flat angles C4'-P-C4' energy: -48.586 flat angles P-C4'-P energy: -36.249 tors. eta vs tors. theta energy: -2.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1211.001952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.001952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.001952 (E_RNA) where: Base-Base interactions energy: -873.296 where: short stacking energy: -318.200 Base-Backbone interact. energy: -2.934 local terms energy: -334.771554 where: bonds (distance) C4'-P energy: -62.553 bonds (distance) P-C4' energy: -64.286 flat angles C4'-P-C4' energy: -67.966 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -93.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1130.355437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.355437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.355437 (E_RNA) where: Base-Base interactions energy: -778.177 where: short stacking energy: -338.706 Base-Backbone interact. energy: 0.485 local terms energy: -352.664011 where: bonds (distance) C4'-P energy: -65.622 bonds (distance) P-C4' energy: -61.356 flat angles C4'-P-C4' energy: -71.095 flat angles P-C4'-P energy: -51.777 tors. eta vs tors. theta energy: -102.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1135.408729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.408729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.408729 (E_RNA) where: Base-Base interactions energy: -797.292 where: short stacking energy: -301.959 Base-Backbone interact. energy: -0.178 local terms energy: -337.938519 where: bonds (distance) C4'-P energy: -62.322 bonds (distance) P-C4' energy: -57.979 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -92.356 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: 232 Temperature: 1.050000 Total energy: -1042.543854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.543854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.543854 (E_RNA) where: Base-Base interactions energy: -704.220 where: short stacking energy: -287.088 Base-Backbone interact. energy: -0.679 local terms energy: -337.645076 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -64.771 flat angles C4'-P-C4' energy: -72.544 flat angles P-C4'-P energy: -43.600 tors. eta vs tors. theta energy: -92.155 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: 232 Temperature: 1.100000 Total energy: -962.903780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.903780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.903780 (E_RNA) where: Base-Base interactions energy: -665.317 where: short stacking energy: -271.839 Base-Backbone interact. energy: -1.924 local terms energy: -295.662946 where: bonds (distance) C4'-P energy: -48.840 bonds (distance) P-C4' energy: -64.146 flat angles C4'-P-C4' energy: -66.867 flat angles P-C4'-P energy: -38.570 tors. eta vs tors. theta energy: -77.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -931.525635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.525635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.525635 (E_RNA) where: Base-Base interactions energy: -640.114 where: short stacking energy: -259.271 Base-Backbone interact. energy: -1.750 local terms energy: -289.661656 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -64.304 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -65.792 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: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -765.839428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.839428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.839428 (E_RNA) where: Base-Base interactions energy: -488.546 where: short stacking energy: -227.867 Base-Backbone interact. energy: -1.285 local terms energy: -276.007851 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -50.359 flat angles C4'-P-C4' energy: -64.072 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: -64.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -634.767782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.767782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.767782 (E_RNA) where: Base-Base interactions energy: -378.843 where: short stacking energy: -178.705 Base-Backbone interact. energy: 0.763 local terms energy: -256.688300 where: bonds (distance) C4'-P energy: -56.891 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -65.457 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -39.358 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: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -553.875505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.875505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.875505 (E_RNA) where: Base-Base interactions energy: -340.618 where: short stacking energy: -174.405 Base-Backbone interact. energy: 0.061 local terms energy: -213.318940 where: bonds (distance) C4'-P energy: -56.554 bonds (distance) P-C4' energy: -48.601 flat angles C4'-P-C4' energy: -49.736 flat angles P-C4'-P energy: -23.905 tors. eta vs tors. theta energy: -34.523 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: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -370.518259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.518259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.518259 (E_RNA) where: Base-Base interactions energy: -195.471 where: short stacking energy: -111.670 Base-Backbone interact. energy: 4.352 local terms energy: -179.399203 where: bonds (distance) C4'-P energy: -44.594 bonds (distance) P-C4' energy: -53.172 flat angles C4'-P-C4' energy: -46.227 flat angles P-C4'-P energy: -34.484 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1214.951751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.951751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.951751 (E_RNA) where: Base-Base interactions energy: -871.278 where: short stacking energy: -332.683 Base-Backbone interact. energy: -2.478 local terms energy: -341.196072 where: bonds (distance) C4'-P energy: -61.368 bonds (distance) P-C4' energy: -54.949 flat angles C4'-P-C4' energy: -83.358 flat angles P-C4'-P energy: -46.704 tors. eta vs tors. theta energy: -94.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1156.539835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.539835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.539835 (E_RNA) where: Base-Base interactions energy: -802.907 where: short stacking energy: -325.275 Base-Backbone interact. energy: -0.834 local terms energy: -352.799342 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -67.912 flat angles C4'-P-C4' energy: -80.415 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -89.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1105.364281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.364281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.364281 (E_RNA) where: Base-Base interactions energy: -748.293 where: short stacking energy: -324.173 Base-Backbone interact. energy: -0.627 local terms energy: -356.444457 where: bonds (distance) C4'-P energy: -58.578 bonds (distance) P-C4' energy: -65.094 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -46.497 tors. eta vs tors. theta energy: -105.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1029.518330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.518330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.518330 (E_RNA) where: Base-Base interactions energy: -708.269 where: short stacking energy: -275.172 Base-Backbone interact. energy: -1.077 local terms energy: -320.171661 where: bonds (distance) C4'-P energy: -51.216 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -72.876 flat angles P-C4'-P energy: -47.654 tors. eta vs tors. theta energy: -83.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -977.501354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.501354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.501354 (E_RNA) where: Base-Base interactions energy: -656.026 where: short stacking energy: -283.383 Base-Backbone interact. energy: -0.092 local terms energy: -321.383174 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -68.492 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -80.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -909.964995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.964995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.964995 (E_RNA) where: Base-Base interactions energy: -645.216 where: short stacking energy: -263.588 Base-Backbone interact. energy: 0.803 local terms energy: -265.552259 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -40.689 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -42.161 tors. eta vs tors. theta energy: -59.769 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: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -780.766734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.766734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.766734 (E_RNA) where: Base-Base interactions energy: -531.439 where: short stacking energy: -228.294 Base-Backbone interact. energy: -2.995 local terms energy: -246.333052 where: bonds (distance) C4'-P energy: -38.745 bonds (distance) P-C4' energy: -53.462 flat angles C4'-P-C4' energy: -60.371 flat angles P-C4'-P energy: -33.190 tors. eta vs tors. theta energy: -60.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -584.188054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.188054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.188054 (E_RNA) where: Base-Base interactions energy: -359.618 where: short stacking energy: -170.671 Base-Backbone interact. energy: 2.244 local terms energy: -226.814373 where: bonds (distance) C4'-P energy: -51.409 bonds (distance) P-C4' energy: -51.726 flat angles C4'-P-C4' energy: -54.852 flat angles P-C4'-P energy: -34.081 tors. eta vs tors. theta energy: -34.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -588.591520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.591520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.591520 (E_RNA) where: Base-Base interactions energy: -361.168 where: short stacking energy: -160.056 Base-Backbone interact. energy: -0.428 local terms energy: -226.994965 where: bonds (distance) C4'-P energy: -54.334 bonds (distance) P-C4' energy: -58.252 flat angles C4'-P-C4' energy: -53.962 flat angles P-C4'-P energy: -26.709 tors. eta vs tors. theta energy: -33.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -383.612634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.612634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.612634 (E_RNA) where: Base-Base interactions energy: -181.802 where: short stacking energy: -109.651 Base-Backbone interact. energy: 2.494 local terms energy: -204.304740 where: bonds (distance) C4'-P energy: -46.645 bonds (distance) P-C4' energy: -64.858 flat angles C4'-P-C4' energy: -55.727 flat angles P-C4'-P energy: -28.173 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1162.145463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.145463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.145463 (E_RNA) where: Base-Base interactions energy: -816.784 where: short stacking energy: -341.705 Base-Backbone interact. energy: 0.592 local terms energy: -345.952990 where: bonds (distance) C4'-P energy: -64.160 bonds (distance) P-C4' energy: -68.953 flat angles C4'-P-C4' energy: -73.009 flat angles P-C4'-P energy: -46.262 tors. eta vs tors. theta energy: -93.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1207.252931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.252931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.252931 (E_RNA) where: Base-Base interactions energy: -867.407 where: short stacking energy: -330.725 Base-Backbone interact. energy: -1.838 local terms energy: -338.007801 where: bonds (distance) C4'-P energy: -60.380 bonds (distance) P-C4' energy: -57.518 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -99.535 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: 234 Temperature: 1.000000 Total energy: -1091.520814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.520814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.520814 (E_RNA) where: Base-Base interactions energy: -755.322 where: short stacking energy: -312.323 Base-Backbone interact. energy: -1.966 local terms energy: -334.232815 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -68.918 flat angles P-C4'-P energy: -46.654 tors. eta vs tors. theta energy: -96.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1073.492077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.492077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.492077 (E_RNA) where: Base-Base interactions energy: -724.490 where: short stacking energy: -302.653 Base-Backbone interact. energy: -1.034 local terms energy: -347.968676 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -99.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -930.011908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.011908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.011908 (E_RNA) where: Base-Base interactions energy: -619.505 where: short stacking energy: -261.553 Base-Backbone interact. energy: -1.993 local terms energy: -308.513785 where: bonds (distance) C4'-P energy: -67.816 bonds (distance) P-C4' energy: -59.397 flat angles C4'-P-C4' energy: -72.291 flat angles P-C4'-P energy: -37.587 tors. eta vs tors. theta energy: -71.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -920.843174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.843174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.843174 (E_RNA) where: Base-Base interactions energy: -628.448 where: short stacking energy: -253.123 Base-Backbone interact. energy: -1.650 local terms energy: -290.744907 where: bonds (distance) C4'-P energy: -65.531 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -32.302 tors. eta vs tors. theta energy: -65.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -793.841337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.841337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.841337 (E_RNA) where: Base-Base interactions energy: -513.536 where: short stacking energy: -245.747 Base-Backbone interact. energy: -0.727 local terms energy: -279.578771 where: bonds (distance) C4'-P energy: -45.926 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -63.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -555.975211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.975211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.975211 (E_RNA) where: Base-Base interactions energy: -322.020 where: short stacking energy: -153.855 Base-Backbone interact. energy: 0.743 local terms energy: -234.698054 where: bonds (distance) C4'-P energy: -51.555 bonds (distance) P-C4' energy: -63.891 flat angles C4'-P-C4' energy: -59.016 flat angles P-C4'-P energy: -36.868 tors. eta vs tors. theta energy: -23.368 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: 9, replica: 6 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -560.645954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.645954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.645954 (E_RNA) where: Base-Base interactions energy: -343.939 where: short stacking energy: -173.930 Base-Backbone interact. energy: 1.919 local terms energy: -218.625547 where: bonds (distance) C4'-P energy: -53.424 bonds (distance) P-C4' energy: -56.196 flat angles C4'-P-C4' energy: -49.045 flat angles P-C4'-P energy: -32.756 tors. eta vs tors. theta energy: -27.204 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: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -371.792307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.792307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.792307 (E_RNA) where: Base-Base interactions energy: -195.543 where: short stacking energy: -124.300 Base-Backbone interact. energy: 4.714 local terms energy: -180.963728 where: bonds (distance) C4'-P energy: -43.545 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -49.066 flat angles P-C4'-P energy: -19.347 tors. eta vs tors. theta energy: -8.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1157.248541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.248541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.248541 (E_RNA) where: Base-Base interactions energy: -814.955 where: short stacking energy: -308.300 Base-Backbone interact. energy: -2.109 local terms energy: -340.184370 where: bonds (distance) C4'-P energy: -67.957 bonds (distance) P-C4' energy: -58.354 flat angles C4'-P-C4' energy: -68.586 flat angles P-C4'-P energy: -50.360 tors. eta vs tors. theta energy: -94.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1229.502526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.502526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.502526 (E_RNA) where: Base-Base interactions energy: -889.235 where: short stacking energy: -336.892 Base-Backbone interact. energy: -3.459 local terms energy: -336.808713 where: bonds (distance) C4'-P energy: -60.660 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -73.361 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -100.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1099.109508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.109508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.109508 (E_RNA) where: Base-Base interactions energy: -754.671 where: short stacking energy: -314.057 Base-Backbone interact. energy: -0.408 local terms energy: -344.031220 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -60.252 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -47.339 tors. eta vs tors. theta energy: -98.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1032.288544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.288544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.288544 (E_RNA) where: Base-Base interactions energy: -702.007 where: short stacking energy: -305.133 Base-Backbone interact. energy: 2.128 local terms energy: -332.409764 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -56.964 flat angles C4'-P-C4' energy: -72.132 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -94.433 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: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -922.971136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.971136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.971136 (E_RNA) where: Base-Base interactions energy: -617.265 where: short stacking energy: -265.135 Base-Backbone interact. energy: -2.238 local terms energy: -303.467502 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -58.165 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -81.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -921.880372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.880372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.880372 (E_RNA) where: Base-Base interactions energy: -622.809 where: short stacking energy: -256.859 Base-Backbone interact. energy: 0.662 local terms energy: -299.734194 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -66.905 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -74.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -769.415485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.415485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.415485 (E_RNA) where: Base-Base interactions energy: -499.589 where: short stacking energy: -219.940 Base-Backbone interact. energy: -1.797 local terms energy: -268.029361 where: bonds (distance) C4'-P energy: -62.852 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -53.931 flat angles P-C4'-P energy: -29.179 tors. eta vs tors. theta energy: -54.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -607.635332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.635332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.635332 (E_RNA) where: Base-Base interactions energy: -376.901 where: short stacking energy: -155.224 Base-Backbone interact. energy: -0.683 local terms energy: -230.051124 where: bonds (distance) C4'-P energy: -42.686 bonds (distance) P-C4' energy: -68.653 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -32.637 tors. eta vs tors. theta energy: -35.532 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: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -580.523695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.523695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.523695 (E_RNA) where: Base-Base interactions energy: -338.770 where: short stacking energy: -166.249 Base-Backbone interact. energy: 0.640 local terms energy: -242.394273 where: bonds (distance) C4'-P energy: -50.428 bonds (distance) P-C4' energy: -64.242 flat angles C4'-P-C4' energy: -50.628 flat angles P-C4'-P energy: -41.870 tors. eta vs tors. theta energy: -35.227 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: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -392.418671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.418671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.418671 (E_RNA) where: Base-Base interactions energy: -187.548 where: short stacking energy: -113.256 Base-Backbone interact. energy: 6.320 local terms energy: -211.190911 where: bonds (distance) C4'-P energy: -51.840 bonds (distance) P-C4' energy: -70.591 flat angles C4'-P-C4' energy: -50.694 flat angles P-C4'-P energy: -31.841 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1227.386469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.386469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.386469 (E_RNA) where: Base-Base interactions energy: -863.493 where: short stacking energy: -330.561 Base-Backbone interact. energy: -1.798 local terms energy: -362.095109 where: bonds (distance) C4'-P energy: -66.039 bonds (distance) P-C4' energy: -68.909 flat angles C4'-P-C4' energy: -75.481 flat angles P-C4'-P energy: -46.227 tors. eta vs tors. theta energy: -105.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1147.119499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.119499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.119499 (E_RNA) where: Base-Base interactions energy: -810.988 where: short stacking energy: -326.903 Base-Backbone interact. energy: 1.193 local terms energy: -337.324714 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -71.978 flat angles P-C4'-P energy: -47.335 tors. eta vs tors. theta energy: -92.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1099.508289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.508289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.508289 (E_RNA) where: Base-Base interactions energy: -761.601 where: short stacking energy: -317.678 Base-Backbone interact. energy: -0.946 local terms energy: -336.961042 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -65.768 flat angles C4'-P-C4' energy: -70.225 flat angles P-C4'-P energy: -43.913 tors. eta vs tors. theta energy: -95.706 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: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1032.270382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.270382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.270382 (E_RNA) where: Base-Base interactions energy: -698.949 where: short stacking energy: -293.544 Base-Backbone interact. energy: -0.268 local terms energy: -333.053686 where: bonds (distance) C4'-P energy: -63.749 bonds (distance) P-C4' energy: -66.846 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -37.197 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -950.759860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.759860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.759860 (E_RNA) where: Base-Base interactions energy: -654.911 where: short stacking energy: -276.537 Base-Backbone interact. energy: -1.467 local terms energy: -294.382238 where: bonds (distance) C4'-P energy: -54.478 bonds (distance) P-C4' energy: -58.067 flat angles C4'-P-C4' energy: -71.136 flat angles P-C4'-P energy: -31.197 tors. eta vs tors. theta energy: -79.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -894.116529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.116529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.116529 (E_RNA) where: Base-Base interactions energy: -608.547 where: short stacking energy: -248.105 Base-Backbone interact. energy: 2.690 local terms energy: -288.260165 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -53.794 flat angles C4'-P-C4' energy: -69.209 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -63.485 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: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -764.263895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.263895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.263895 (E_RNA) where: Base-Base interactions energy: -501.007 where: short stacking energy: -218.002 Base-Backbone interact. energy: -0.363 local terms energy: -262.893673 where: bonds (distance) C4'-P energy: -50.986 bonds (distance) P-C4' energy: -56.386 flat angles C4'-P-C4' energy: -65.210 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -50.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -573.520915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.520915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.520915 (E_RNA) where: Base-Base interactions energy: -334.123 where: short stacking energy: -161.267 Base-Backbone interact. energy: -1.367 local terms energy: -238.030631 where: bonds (distance) C4'-P energy: -56.659 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -50.862 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -35.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -555.313062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.313062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.313062 (E_RNA) where: Base-Base interactions energy: -323.499 where: short stacking energy: -153.336 Base-Backbone interact. energy: -0.703 local terms energy: -231.111783 where: bonds (distance) C4'-P energy: -58.356 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -48.771 flat angles P-C4'-P energy: -39.229 tors. eta vs tors. theta energy: -33.894 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: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -376.367198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.367198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.367198 (E_RNA) where: Base-Base interactions energy: -203.122 where: short stacking energy: -122.085 Base-Backbone interact. energy: 1.707 local terms energy: -174.951743 where: bonds (distance) C4'-P energy: -39.952 bonds (distance) P-C4' energy: -54.036 flat angles C4'-P-C4' energy: -54.951 flat angles P-C4'-P energy: -24.783 tors. eta vs tors. theta energy: -1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1208.426722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.426722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.426722 (E_RNA) where: Base-Base interactions energy: -843.538 where: short stacking energy: -321.422 Base-Backbone interact. energy: -3.100 local terms energy: -361.788404 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -73.791 flat angles C4'-P-C4' energy: -77.430 flat angles P-C4'-P energy: -35.251 tors. eta vs tors. theta energy: -104.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1153.042457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.042457 (E_RNA) where: Base-Base interactions energy: -803.549 where: short stacking energy: -327.474 Base-Backbone interact. energy: -0.705 local terms energy: -348.789076 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -80.629 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: -90.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1101.659547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.659547 (E_RNA) where: Base-Base interactions energy: -763.688 where: short stacking energy: -312.074 Base-Backbone interact. energy: -1.851 local terms energy: -336.121192 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -51.084 tors. eta vs tors. theta energy: -85.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1019.651113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.651113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.651113 (E_RNA) where: Base-Base interactions energy: -717.726 where: short stacking energy: -272.705 Base-Backbone interact. energy: 0.511 local terms energy: -302.435977 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -45.439 flat angles C4'-P-C4' energy: -71.272 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -88.082 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: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1002.972524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.972524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.972524 (E_RNA) where: Base-Base interactions energy: -704.616 where: short stacking energy: -291.925 Base-Backbone interact. energy: -1.172 local terms energy: -297.184186 where: bonds (distance) C4'-P energy: -52.581 bonds (distance) P-C4' energy: -57.732 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -41.879 tors. eta vs tors. theta energy: -84.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -913.148599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.148599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.148599 (E_RNA) where: Base-Base interactions energy: -622.751 where: short stacking energy: -260.523 Base-Backbone interact. energy: -0.335 local terms energy: -290.062294 where: bonds (distance) C4'-P energy: -65.560 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -59.892 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -67.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -760.034630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.034630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.034630 (E_RNA) where: Base-Base interactions energy: -490.400 where: short stacking energy: -207.903 Base-Backbone interact. energy: -1.079 local terms energy: -268.555382 where: bonds (distance) C4'-P energy: -60.525 bonds (distance) P-C4' energy: -64.549 flat angles C4'-P-C4' energy: -68.646 flat angles P-C4'-P energy: -22.817 tors. eta vs tors. theta energy: -52.018 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: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -609.616238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.616238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.616238 (E_RNA) where: Base-Base interactions energy: -367.343 where: short stacking energy: -189.194 Base-Backbone interact. energy: 1.197 local terms energy: -243.471157 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -59.736 flat angles C4'-P-C4' energy: -42.200 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: -42.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -598.263174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.263174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.263174 (E_RNA) where: Base-Base interactions energy: -356.508 where: short stacking energy: -181.321 Base-Backbone interact. energy: 1.854 local terms energy: -243.609950 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -53.891 flat angles C4'-P-C4' energy: -62.967 flat angles P-C4'-P energy: -29.668 tors. eta vs tors. theta energy: -34.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -377.494114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.494114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.494114 (E_RNA) where: Base-Base interactions energy: -193.680 where: short stacking energy: -101.669 Base-Backbone interact. energy: 4.076 local terms energy: -187.890618 where: bonds (distance) C4'-P energy: -59.200 bonds (distance) P-C4' energy: -55.239 flat angles C4'-P-C4' energy: -56.647 flat angles P-C4'-P energy: -28.446 tors. eta vs tors. theta energy: 11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1245.538644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.538644 (E_RNA) where: Base-Base interactions energy: -890.236 where: short stacking energy: -338.264 Base-Backbone interact. energy: -1.915 local terms energy: -353.387656 where: bonds (distance) C4'-P energy: -58.944 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -73.680 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -100.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1156.514441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.514441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.514441 (E_RNA) where: Base-Base interactions energy: -817.225 where: short stacking energy: -312.528 Base-Backbone interact. energy: 0.613 local terms energy: -339.902329 where: bonds (distance) C4'-P energy: -54.349 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -75.828 flat angles P-C4'-P energy: -45.904 tors. eta vs tors. theta energy: -98.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1105.230592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.230592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.230592 (E_RNA) where: Base-Base interactions energy: -768.005 where: short stacking energy: -299.481 Base-Backbone interact. energy: -2.057 local terms energy: -335.168404 where: bonds (distance) C4'-P energy: -62.585 bonds (distance) P-C4' energy: -63.473 flat angles C4'-P-C4' energy: -70.649 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: -90.115 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: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1052.935146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.935146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.935146 (E_RNA) where: Base-Base interactions energy: -723.409 where: short stacking energy: -285.294 Base-Backbone interact. energy: 0.172 local terms energy: -329.697718 where: bonds (distance) C4'-P energy: -62.916 bonds (distance) P-C4' energy: -59.401 flat angles C4'-P-C4' energy: -63.863 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: -91.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1025.461395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.461395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.461395 (E_RNA) where: Base-Base interactions energy: -710.406 where: short stacking energy: -303.840 Base-Backbone interact. energy: -1.033 local terms energy: -314.022764 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -46.500 flat angles C4'-P-C4' energy: -78.050 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: -93.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -891.895089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.895089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.895089 (E_RNA) where: Base-Base interactions energy: -625.497 where: short stacking energy: -259.015 Base-Backbone interact. energy: 3.994 local terms energy: -270.392730 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -46.553 flat angles C4'-P-C4' energy: -56.000 flat angles P-C4'-P energy: -38.420 tors. eta vs tors. theta energy: -65.939 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: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -745.635768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.635768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.635768 (E_RNA) where: Base-Base interactions energy: -469.733 where: short stacking energy: -195.591 Base-Backbone interact. energy: -0.833 local terms energy: -275.070212 where: bonds (distance) C4'-P energy: -62.777 bonds (distance) P-C4' energy: -53.965 flat angles C4'-P-C4' energy: -64.090 flat angles P-C4'-P energy: -38.314 tors. eta vs tors. theta energy: -55.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -609.424592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.424592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.424592 (E_RNA) where: Base-Base interactions energy: -381.591 where: short stacking energy: -165.598 Base-Backbone interact. energy: -0.987 local terms energy: -226.846383 where: bonds (distance) C4'-P energy: -43.669 bonds (distance) P-C4' energy: -64.753 flat angles C4'-P-C4' energy: -59.121 flat angles P-C4'-P energy: -28.067 tors. eta vs tors. theta energy: -31.237 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: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -564.032509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.032509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.032509 (E_RNA) where: Base-Base interactions energy: -340.907 where: short stacking energy: -145.863 Base-Backbone interact. energy: 0.713 local terms energy: -223.838540 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -53.509 flat angles C4'-P-C4' energy: -53.100 flat angles P-C4'-P energy: -30.202 tors. eta vs tors. theta energy: -25.651 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: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -376.611252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.611252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.611252 (E_RNA) where: Base-Base interactions energy: -175.724 where: short stacking energy: -99.315 Base-Backbone interact. energy: -1.183 local terms energy: -199.703739 where: bonds (distance) C4'-P energy: -59.968 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -47.451 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: 3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1214.229120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.229120 (E_RNA) where: Base-Base interactions energy: -865.706 where: short stacking energy: -331.346 Base-Backbone interact. energy: 0.106 local terms energy: -348.629221 where: bonds (distance) C4'-P energy: -68.233 bonds (distance) P-C4' energy: -57.708 flat angles C4'-P-C4' energy: -80.540 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -97.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1157.158971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.158971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.158971 (E_RNA) where: Base-Base interactions energy: -821.065 where: short stacking energy: -329.850 Base-Backbone interact. energy: -1.595 local terms energy: -334.498963 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -71.990 flat angles P-C4'-P energy: -47.645 tors. eta vs tors. theta energy: -97.332 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: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1085.694166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.694166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.694166 (E_RNA) where: Base-Base interactions energy: -748.421 where: short stacking energy: -284.916 Base-Backbone interact. energy: 0.416 local terms energy: -337.688924 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -65.457 flat angles C4'-P-C4' energy: -74.943 flat angles P-C4'-P energy: -54.371 tors. eta vs tors. theta energy: -84.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1039.107719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.107719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.107719 (E_RNA) where: Base-Base interactions energy: -725.062 where: short stacking energy: -283.954 Base-Backbone interact. energy: 0.315 local terms energy: -314.360648 where: bonds (distance) C4'-P energy: -58.108 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -71.715 flat angles P-C4'-P energy: -38.526 tors. eta vs tors. theta energy: -83.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -994.364164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.364164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.364164 (E_RNA) where: Base-Base interactions energy: -680.461 where: short stacking energy: -275.007 Base-Backbone interact. energy: -1.873 local terms energy: -312.030188 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -60.484 flat angles C4'-P-C4' energy: -69.713 flat angles P-C4'-P energy: -36.167 tors. eta vs tors. theta energy: -85.066 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -923.395377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.395377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.395377 (E_RNA) where: Base-Base interactions energy: -634.839 where: short stacking energy: -245.625 Base-Backbone interact. energy: -2.026 local terms energy: -286.530563 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -65.483 flat angles C4'-P-C4' energy: -63.296 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: -61.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -763.309334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.309334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.309334 (E_RNA) where: Base-Base interactions energy: -495.182 where: short stacking energy: -217.807 Base-Backbone interact. energy: -1.747 local terms energy: -266.380092 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -59.067 flat angles C4'-P-C4' energy: -61.132 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -51.398 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: 3 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -594.036005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.036005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.036005 (E_RNA) where: Base-Base interactions energy: -360.517 where: short stacking energy: -179.306 Base-Backbone interact. energy: -2.246 local terms energy: -231.272816 where: bonds (distance) C4'-P energy: -51.995 bonds (distance) P-C4' energy: -55.468 flat angles C4'-P-C4' energy: -61.613 flat angles P-C4'-P energy: -27.245 tors. eta vs tors. theta energy: -34.952 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: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -543.139595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.139595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.139595 (E_RNA) where: Base-Base interactions energy: -330.899 where: short stacking energy: -139.369 Base-Backbone interact. energy: 3.589 local terms energy: -215.830344 where: bonds (distance) C4'-P energy: -57.424 bonds (distance) P-C4' energy: -52.744 flat angles C4'-P-C4' energy: -55.592 flat angles P-C4'-P energy: -24.247 tors. eta vs tors. theta energy: -25.822 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: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -375.358939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.358939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.358939 (E_RNA) where: Base-Base interactions energy: -172.011 where: short stacking energy: -99.193 Base-Backbone interact. energy: -1.096 local terms energy: -202.252097 where: bonds (distance) C4'-P energy: -55.892 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -56.840 flat angles P-C4'-P energy: -26.956 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1203.762128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.762128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.762128 (E_RNA) where: Base-Base interactions energy: -839.175 where: short stacking energy: -325.319 Base-Backbone interact. energy: -3.102 local terms energy: -361.485127 where: bonds (distance) C4'-P energy: -61.003 bonds (distance) P-C4' energy: -70.927 flat angles C4'-P-C4' energy: -77.396 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -100.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1156.908851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.908851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.908851 (E_RNA) where: Base-Base interactions energy: -803.967 where: short stacking energy: -307.702 Base-Backbone interact. energy: 2.710 local terms energy: -355.651723 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -76.788 flat angles P-C4'-P energy: -52.818 tors. eta vs tors. theta energy: -95.961 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: 240 Temperature: 1.000000 Total energy: -1059.306499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.306499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.306499 (E_RNA) where: Base-Base interactions energy: -719.276 where: short stacking energy: -307.721 Base-Backbone interact. energy: 0.717 local terms energy: -340.748222 where: bonds (distance) C4'-P energy: -62.759 bonds (distance) P-C4' energy: -74.209 flat angles C4'-P-C4' energy: -70.517 flat angles P-C4'-P energy: -47.136 tors. eta vs tors. theta energy: -86.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1072.880382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.880382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.880382 (E_RNA) where: Base-Base interactions energy: -740.975 where: short stacking energy: -293.906 Base-Backbone interact. energy: -0.801 local terms energy: -331.104961 where: bonds (distance) C4'-P energy: -71.682 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -87.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1000.057741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.057741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.057741 (E_RNA) where: Base-Base interactions energy: -699.467 where: short stacking energy: -286.467 Base-Backbone interact. energy: 0.211 local terms energy: -300.801867 where: bonds (distance) C4'-P energy: -59.688 bonds (distance) P-C4' energy: -58.978 flat angles C4'-P-C4' energy: -55.741 flat angles P-C4'-P energy: -44.991 tors. eta vs tors. theta energy: -81.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -881.746756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.746756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.746756 (E_RNA) where: Base-Base interactions energy: -582.883 where: short stacking energy: -241.981 Base-Backbone interact. energy: -1.462 local terms energy: -297.402172 where: bonds (distance) C4'-P energy: -51.429 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -66.663 flat angles P-C4'-P energy: -43.508 tors. eta vs tors. theta energy: -67.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -780.662727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.662727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.662727 (E_RNA) where: Base-Base interactions energy: -498.660 where: short stacking energy: -224.177 Base-Backbone interact. energy: 0.784 local terms energy: -282.786830 where: bonds (distance) C4'-P energy: -56.355 bonds (distance) P-C4' energy: -57.609 flat angles C4'-P-C4' energy: -70.391 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -58.597 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: 8, replica: 3 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -578.608269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.608269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.608269 (E_RNA) where: Base-Base interactions energy: -349.204 where: short stacking energy: -158.515 Base-Backbone interact. energy: -0.945 local terms energy: -228.459736 where: bonds (distance) C4'-P energy: -47.109 bonds (distance) P-C4' energy: -53.443 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -34.298 tors. eta vs tors. theta energy: -31.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -546.895907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.895907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.895907 (E_RNA) where: Base-Base interactions energy: -333.262 where: short stacking energy: -149.285 Base-Backbone interact. energy: -0.327 local terms energy: -213.306958 where: bonds (distance) C4'-P energy: -48.976 bonds (distance) P-C4' energy: -60.230 flat angles C4'-P-C4' energy: -49.103 flat angles P-C4'-P energy: -37.007 tors. eta vs tors. theta energy: -17.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -359.896205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.896205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.896205 (E_RNA) where: Base-Base interactions energy: -177.784 where: short stacking energy: -99.722 Base-Backbone interact. energy: 3.106 local terms energy: -185.217926 where: bonds (distance) C4'-P energy: -38.426 bonds (distance) P-C4' energy: -56.534 flat angles C4'-P-C4' energy: -56.935 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -2.214 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: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1211.816429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.816429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.816429 (E_RNA) where: Base-Base interactions energy: -854.133 where: short stacking energy: -326.324 Base-Backbone interact. energy: -1.740 local terms energy: -355.943685 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -77.535 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -99.825 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1163.355049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.355049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.355049 (E_RNA) where: Base-Base interactions energy: -809.652 where: short stacking energy: -318.633 Base-Backbone interact. energy: -2.295 local terms energy: -351.408304 where: bonds (distance) C4'-P energy: -71.754 bonds (distance) P-C4' energy: -68.359 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -46.272 tors. eta vs tors. theta energy: -93.766 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: 241 Temperature: 1.000000 Total energy: -1066.045175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.045175 (E_RNA) where: Base-Base interactions energy: -742.422 where: short stacking energy: -295.893 Base-Backbone interact. energy: -0.399 local terms energy: -323.223461 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -71.786 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -90.938 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: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1068.273551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.273551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.273551 (E_RNA) where: Base-Base interactions energy: -753.083 where: short stacking energy: -299.877 Base-Backbone interact. energy: -1.163 local terms energy: -314.027149 where: bonds (distance) C4'-P energy: -57.082 bonds (distance) P-C4' energy: -55.093 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -47.552 tors. eta vs tors. theta energy: -88.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1006.807996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.807996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.807996 (E_RNA) where: Base-Base interactions energy: -696.104 where: short stacking energy: -284.210 Base-Backbone interact. energy: -0.688 local terms energy: -310.015889 where: bonds (distance) C4'-P energy: -48.015 bonds (distance) P-C4' energy: -57.743 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -87.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -916.501775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.501775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.501775 (E_RNA) where: Base-Base interactions energy: -627.884 where: short stacking energy: -255.501 Base-Backbone interact. energy: -0.966 local terms energy: -287.651705 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -52.816 flat angles C4'-P-C4' energy: -67.376 flat angles P-C4'-P energy: -39.872 tors. eta vs tors. theta energy: -75.704 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: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -744.117802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.117802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.117802 (E_RNA) where: Base-Base interactions energy: -495.304 where: short stacking energy: -224.000 Base-Backbone interact. energy: -1.649 local terms energy: -247.164838 where: bonds (distance) C4'-P energy: -56.454 bonds (distance) P-C4' energy: -52.457 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -28.600 tors. eta vs tors. theta energy: -50.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -566.545632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.545632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.545632 (E_RNA) where: Base-Base interactions energy: -344.002 where: short stacking energy: -170.372 Base-Backbone interact. energy: 1.739 local terms energy: -224.282424 where: bonds (distance) C4'-P energy: -48.911 bonds (distance) P-C4' energy: -64.398 flat angles C4'-P-C4' energy: -55.230 flat angles P-C4'-P energy: -34.298 tors. eta vs tors. theta energy: -21.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -524.654958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.654958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.654958 (E_RNA) where: Base-Base interactions energy: -305.425 where: short stacking energy: -137.207 Base-Backbone interact. energy: 0.099 local terms energy: -219.329003 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -61.480 flat angles C4'-P-C4' energy: -59.060 flat angles P-C4'-P energy: -22.157 tors. eta vs tors. theta energy: -21.458 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: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -374.313162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.313162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.313162 (E_RNA) where: Base-Base interactions energy: -202.025 where: short stacking energy: -112.088 Base-Backbone interact. energy: 3.421 local terms energy: -175.709495 where: bonds (distance) C4'-P energy: -51.011 bonds (distance) P-C4' energy: -47.803 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -21.186 tors. eta vs tors. theta energy: -0.963 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: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1217.841229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.841229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.841229 (E_RNA) where: Base-Base interactions energy: -863.438 where: short stacking energy: -323.760 Base-Backbone interact. energy: -2.996 local terms energy: -351.407077 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -56.443 flat angles C4'-P-C4' energy: -78.426 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -100.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1159.538143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.538143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.538143 (E_RNA) where: Base-Base interactions energy: -789.555 where: short stacking energy: -315.472 Base-Backbone interact. energy: -2.373 local terms energy: -367.610163 where: bonds (distance) C4'-P energy: -80.319 bonds (distance) P-C4' energy: -65.761 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -96.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1099.131194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.131194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.131194 (E_RNA) where: Base-Base interactions energy: -771.122 where: short stacking energy: -318.990 Base-Backbone interact. energy: -1.783 local terms energy: -326.226125 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -60.437 flat angles C4'-P-C4' energy: -71.513 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: -86.927 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: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1036.437558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.437558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.437558 (E_RNA) where: Base-Base interactions energy: -714.176 where: short stacking energy: -282.940 Base-Backbone interact. energy: -1.525 local terms energy: -320.736616 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -59.594 flat angles C4'-P-C4' energy: -76.064 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -87.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1016.826649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.826649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.826649 (E_RNA) where: Base-Base interactions energy: -710.289 where: short stacking energy: -278.451 Base-Backbone interact. energy: -1.142 local terms energy: -305.394900 where: bonds (distance) C4'-P energy: -61.224 bonds (distance) P-C4' energy: -50.519 flat angles C4'-P-C4' energy: -67.264 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -85.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -923.404265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.404265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.404265 (E_RNA) where: Base-Base interactions energy: -647.319 where: short stacking energy: -255.617 Base-Backbone interact. energy: 1.539 local terms energy: -277.624303 where: bonds (distance) C4'-P energy: -57.485 bonds (distance) P-C4' energy: -49.126 flat angles C4'-P-C4' energy: -56.846 flat angles P-C4'-P energy: -40.505 tors. eta vs tors. theta energy: -73.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -787.605993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.605993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.605993 (E_RNA) where: Base-Base interactions energy: -516.148 where: short stacking energy: -237.136 Base-Backbone interact. energy: -0.137 local terms energy: -271.321285 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -31.392 tors. eta vs tors. theta energy: -61.136 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: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -567.160517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.160517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.160517 (E_RNA) where: Base-Base interactions energy: -331.029 where: short stacking energy: -166.195 Base-Backbone interact. energy: -0.992 local terms energy: -235.140235 where: bonds (distance) C4'-P energy: -61.521 bonds (distance) P-C4' energy: -58.340 flat angles C4'-P-C4' energy: -54.924 flat angles P-C4'-P energy: -31.781 tors. eta vs tors. theta energy: -28.575 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: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -494.370967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.370967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.370967 (E_RNA) where: Base-Base interactions energy: -271.975 where: short stacking energy: -125.769 Base-Backbone interact. energy: -1.465 local terms energy: -220.930378 where: bonds (distance) C4'-P energy: -51.427 bonds (distance) P-C4' energy: -67.039 flat angles C4'-P-C4' energy: -56.847 flat angles P-C4'-P energy: -31.880 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -376.675576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.675576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.675576 (E_RNA) where: Base-Base interactions energy: -197.705 where: short stacking energy: -110.490 Base-Backbone interact. energy: 5.652 local terms energy: -184.623220 where: bonds (distance) C4'-P energy: -45.482 bonds (distance) P-C4' energy: -60.605 flat angles C4'-P-C4' energy: -43.703 flat angles P-C4'-P energy: -28.311 tors. eta vs tors. theta energy: -6.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1202.303777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.303777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.303777 (E_RNA) where: Base-Base interactions energy: -861.833 where: short stacking energy: -328.449 Base-Backbone interact. energy: -2.627 local terms energy: -337.842900 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -68.066 flat angles C4'-P-C4' energy: -73.951 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1152.161663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.161663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.161663 (E_RNA) where: Base-Base interactions energy: -802.664 where: short stacking energy: -317.539 Base-Backbone interact. energy: -2.338 local terms energy: -347.159626 where: bonds (distance) C4'-P energy: -55.086 bonds (distance) P-C4' energy: -65.104 flat angles C4'-P-C4' energy: -77.554 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -100.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1067.871267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.871267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.871267 (E_RNA) where: Base-Base interactions energy: -735.786 where: short stacking energy: -297.884 Base-Backbone interact. energy: -0.558 local terms energy: -331.526873 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -60.180 flat angles C4'-P-C4' energy: -72.616 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -88.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1058.726735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.726735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.726735 (E_RNA) where: Base-Base interactions energy: -747.808 where: short stacking energy: -307.590 Base-Backbone interact. energy: -0.858 local terms energy: -310.060946 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -57.061 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -93.404 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: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1046.540092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.540092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.540092 (E_RNA) where: Base-Base interactions energy: -739.773 where: short stacking energy: -291.729 Base-Backbone interact. energy: -4.101 local terms energy: -302.665711 where: bonds (distance) C4'-P energy: -50.230 bonds (distance) P-C4' energy: -61.953 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: -84.430 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: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -907.742042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.742042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.742042 (E_RNA) where: Base-Base interactions energy: -612.554 where: short stacking energy: -250.471 Base-Backbone interact. energy: -0.816 local terms energy: -294.372020 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -63.279 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -71.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -782.939931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.939931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.939931 (E_RNA) where: Base-Base interactions energy: -526.704 where: short stacking energy: -217.309 Base-Backbone interact. energy: 3.519 local terms energy: -259.755353 where: bonds (distance) C4'-P energy: -53.198 bonds (distance) P-C4' energy: -50.876 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -35.227 tors. eta vs tors. theta energy: -56.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -605.592687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.592687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.592687 (E_RNA) where: Base-Base interactions energy: -361.433 where: short stacking energy: -183.597 Base-Backbone interact. energy: -1.784 local terms energy: -242.375432 where: bonds (distance) C4'-P energy: -66.344 bonds (distance) P-C4' energy: -54.758 flat angles C4'-P-C4' energy: -59.239 flat angles P-C4'-P energy: -34.260 tors. eta vs tors. theta energy: -27.775 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: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -477.710492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.710492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.710492 (E_RNA) where: Base-Base interactions energy: -292.018 where: short stacking energy: -137.927 Base-Backbone interact. energy: -0.745 local terms energy: -184.947619 where: bonds (distance) C4'-P energy: -46.553 bonds (distance) P-C4' energy: -39.624 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -27.520 tors. eta vs tors. theta energy: -13.732 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: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -388.477082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.477082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.477082 (E_RNA) where: Base-Base interactions energy: -192.282 where: short stacking energy: -109.859 Base-Backbone interact. energy: -1.066 local terms energy: -195.129278 where: bonds (distance) C4'-P energy: -54.244 bonds (distance) P-C4' energy: -53.428 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -26.111 tors. eta vs tors. theta energy: -10.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1182.673631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.673631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.673631 (E_RNA) where: Base-Base interactions energy: -824.937 where: short stacking energy: -326.778 Base-Backbone interact. energy: -3.072 local terms energy: -354.664735 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -67.631 flat angles C4'-P-C4' energy: -68.735 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -103.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1195.483685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.483685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.483685 (E_RNA) where: Base-Base interactions energy: -842.010 where: short stacking energy: -309.657 Base-Backbone interact. energy: -1.571 local terms energy: -351.903581 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -73.751 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: -94.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1076.785234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.785234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.785234 (E_RNA) where: Base-Base interactions energy: -725.747 where: short stacking energy: -301.138 Base-Backbone interact. energy: 2.180 local terms energy: -353.217687 where: bonds (distance) C4'-P energy: -66.416 bonds (distance) P-C4' energy: -67.186 flat angles C4'-P-C4' energy: -75.968 flat angles P-C4'-P energy: -51.548 tors. eta vs tors. theta energy: -92.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1057.870308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.870308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.870308 (E_RNA) where: Base-Base interactions energy: -752.640 where: short stacking energy: -279.234 Base-Backbone interact. energy: 1.929 local terms energy: -307.159417 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -51.541 flat angles C4'-P-C4' energy: -61.682 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -88.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1032.271476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.271476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.271476 (E_RNA) where: Base-Base interactions energy: -698.785 where: short stacking energy: -280.229 Base-Backbone interact. energy: -2.045 local terms energy: -331.441641 where: bonds (distance) C4'-P energy: -72.405 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -61.655 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -85.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -890.158422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.158422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.158422 (E_RNA) where: Base-Base interactions energy: -625.588 where: short stacking energy: -257.707 Base-Backbone interact. energy: -1.361 local terms energy: -263.208936 where: bonds (distance) C4'-P energy: -43.290 bonds (distance) P-C4' energy: -56.434 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -31.138 tors. eta vs tors. theta energy: -66.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -812.864291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.864291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.864291 (E_RNA) where: Base-Base interactions energy: -534.071 where: short stacking energy: -241.294 Base-Backbone interact. energy: -0.378 local terms energy: -278.416111 where: bonds (distance) C4'-P energy: -50.884 bonds (distance) P-C4' energy: -54.659 flat angles C4'-P-C4' energy: -63.859 flat angles P-C4'-P energy: -45.125 tors. eta vs tors. theta energy: -63.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -564.102526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.102526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.102526 (E_RNA) where: Base-Base interactions energy: -344.035 where: short stacking energy: -161.842 Base-Backbone interact. energy: -0.406 local terms energy: -219.660660 where: bonds (distance) C4'-P energy: -51.135 bonds (distance) P-C4' energy: -62.478 flat angles C4'-P-C4' energy: -48.926 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: -20.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -460.361652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.361652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.361652 (E_RNA) where: Base-Base interactions energy: -260.310 where: short stacking energy: -145.214 Base-Backbone interact. energy: -0.306 local terms energy: -199.744914 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -55.339 flat angles C4'-P-C4' energy: -49.973 flat angles P-C4'-P energy: -15.342 tors. eta vs tors. theta energy: -18.426 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: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -377.336427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.336427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.336427 (E_RNA) where: Base-Base interactions energy: -176.698 where: short stacking energy: -95.861 Base-Backbone interact. energy: 1.375 local terms energy: -202.013150 where: bonds (distance) C4'-P energy: -64.763 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -31.938 tors. eta vs tors. theta energy: 4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1188.663660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.663660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.663660 (E_RNA) where: Base-Base interactions energy: -839.783 where: short stacking energy: -327.093 Base-Backbone interact. energy: 0.784 local terms energy: -349.665070 where: bonds (distance) C4'-P energy: -61.044 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -72.626 flat angles P-C4'-P energy: -51.975 tors. eta vs tors. theta energy: -101.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1190.916033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.916033 (E_RNA) where: Base-Base interactions energy: -854.942 where: short stacking energy: -313.675 Base-Backbone interact. energy: -1.980 local terms energy: -333.994173 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -62.080 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -95.575 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: 245 Temperature: 1.000000 Total energy: -1062.347160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.347160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.347160 (E_RNA) where: Base-Base interactions energy: -730.460 where: short stacking energy: -289.678 Base-Backbone interact. energy: 1.532 local terms energy: -333.419143 where: bonds (distance) C4'-P energy: -63.532 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -72.951 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -89.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1050.818641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.818641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.818641 (E_RNA) where: Base-Base interactions energy: -724.136 where: short stacking energy: -307.007 Base-Backbone interact. energy: 0.463 local terms energy: -327.144869 where: bonds (distance) C4'-P energy: -57.236 bonds (distance) P-C4' energy: -56.617 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -94.055 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: 245 Temperature: 1.100000 Total energy: -1019.983230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.983230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.983230 (E_RNA) where: Base-Base interactions energy: -699.765 where: short stacking energy: -298.103 Base-Backbone interact. energy: 2.427 local terms energy: -322.644556 where: bonds (distance) C4'-P energy: -54.543 bonds (distance) P-C4' energy: -54.679 flat angles C4'-P-C4' energy: -77.418 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -86.794 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: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -917.919905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.919905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.919905 (E_RNA) where: Base-Base interactions energy: -616.295 where: short stacking energy: -256.037 Base-Backbone interact. energy: -0.938 local terms energy: -300.687368 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -67.615 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: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -815.604051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.604051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.604051 (E_RNA) where: Base-Base interactions energy: -548.105 where: short stacking energy: -229.745 Base-Backbone interact. energy: -1.135 local terms energy: -266.364579 where: bonds (distance) C4'-P energy: -47.817 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -62.415 flat angles P-C4'-P energy: -32.688 tors. eta vs tors. theta energy: -56.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -569.287916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.287916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.287916 (E_RNA) where: Base-Base interactions energy: -338.504 where: short stacking energy: -169.957 Base-Backbone interact. energy: -0.765 local terms energy: -230.018296 where: bonds (distance) C4'-P energy: -54.641 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -58.312 flat angles P-C4'-P energy: -33.153 tors. eta vs tors. theta energy: -20.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -478.223985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.223985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.223985 (E_RNA) where: Base-Base interactions energy: -249.546 where: short stacking energy: -136.421 Base-Backbone interact. energy: -0.364 local terms energy: -228.314422 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -68.150 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: -15.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -383.589129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.589129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.589129 (E_RNA) where: Base-Base interactions energy: -180.344 where: short stacking energy: -98.147 Base-Backbone interact. energy: 5.570 local terms energy: -208.814713 where: bonds (distance) C4'-P energy: -53.616 bonds (distance) P-C4' energy: -62.776 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -40.759 tors. eta vs tors. theta energy: 3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1229.168690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.168690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.168690 (E_RNA) where: Base-Base interactions energy: -862.934 where: short stacking energy: -344.322 Base-Backbone interact. energy: -1.565 local terms energy: -364.669595 where: bonds (distance) C4'-P energy: -64.347 bonds (distance) P-C4' energy: -65.953 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: -104.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1155.736938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.736938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.736938 (E_RNA) where: Base-Base interactions energy: -806.497 where: short stacking energy: -332.967 Base-Backbone interact. energy: -0.426 local terms energy: -348.813881 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -48.798 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: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1076.309101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.309101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.309101 (E_RNA) where: Base-Base interactions energy: -760.045 where: short stacking energy: -315.215 Base-Backbone interact. energy: -1.774 local terms energy: -314.490833 where: bonds (distance) C4'-P energy: -52.883 bonds (distance) P-C4' energy: -59.787 flat angles C4'-P-C4' energy: -65.491 flat angles P-C4'-P energy: -45.103 tors. eta vs tors. theta energy: -91.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1035.259042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.259042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.259042 (E_RNA) where: Base-Base interactions energy: -731.666 where: short stacking energy: -301.710 Base-Backbone interact. energy: 0.339 local terms energy: -303.932803 where: bonds (distance) C4'-P energy: -57.924 bonds (distance) P-C4' energy: -54.516 flat angles C4'-P-C4' energy: -66.706 flat angles P-C4'-P energy: -45.830 tors. eta vs tors. theta energy: -78.957 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: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1028.505217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.505217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.505217 (E_RNA) where: Base-Base interactions energy: -719.144 where: short stacking energy: -272.700 Base-Backbone interact. energy: 2.936 local terms energy: -312.296742 where: bonds (distance) C4'-P energy: -57.163 bonds (distance) P-C4' energy: -63.046 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -79.907 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: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -914.233818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.233818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.233818 (E_RNA) where: Base-Base interactions energy: -623.881 where: short stacking energy: -260.300 Base-Backbone interact. energy: 2.086 local terms energy: -292.439042 where: bonds (distance) C4'-P energy: -50.854 bonds (distance) P-C4' energy: -68.564 flat angles C4'-P-C4' energy: -67.049 flat angles P-C4'-P energy: -40.568 tors. eta vs tors. theta energy: -65.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -820.848251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.848251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.848251 (E_RNA) where: Base-Base interactions energy: -558.190 where: short stacking energy: -243.133 Base-Backbone interact. energy: 0.376 local terms energy: -263.034233 where: bonds (distance) C4'-P energy: -41.903 bonds (distance) P-C4' energy: -59.634 flat angles C4'-P-C4' energy: -49.842 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -67.565 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: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -623.294287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.294287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.294287 (E_RNA) where: Base-Base interactions energy: -379.159 where: short stacking energy: -159.392 Base-Backbone interact. energy: 0.480 local terms energy: -244.614988 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -60.802 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -25.953 tors. eta vs tors. theta energy: -37.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -454.417127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.417127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.417127 (E_RNA) where: Base-Base interactions energy: -245.490 where: short stacking energy: -130.636 Base-Backbone interact. energy: -2.283 local terms energy: -206.644641 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -64.482 flat angles C4'-P-C4' energy: -51.392 flat angles P-C4'-P energy: -23.439 tors. eta vs tors. theta energy: -7.051 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: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -384.762031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.762031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.762031 (E_RNA) where: Base-Base interactions energy: -201.244 where: short stacking energy: -110.120 Base-Backbone interact. energy: -1.203 local terms energy: -182.315206 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -40.687 flat angles P-C4'-P energy: -31.085 tors. eta vs tors. theta energy: 1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1226.555432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.555432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.555432 (E_RNA) where: Base-Base interactions energy: -868.888 where: short stacking energy: -326.775 Base-Backbone interact. energy: -1.256 local terms energy: -356.411544 where: bonds (distance) C4'-P energy: -69.438 bonds (distance) P-C4' energy: -61.616 flat angles C4'-P-C4' energy: -75.327 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -100.565 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: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1162.269890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.269890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.269890 (E_RNA) where: Base-Base interactions energy: -827.596 where: short stacking energy: -327.317 Base-Backbone interact. energy: 1.656 local terms energy: -336.329729 where: bonds (distance) C4'-P energy: -51.382 bonds (distance) P-C4' energy: -58.235 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -50.625 tors. eta vs tors. theta energy: -98.618 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: 1 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1061.358538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.358538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.358538 (E_RNA) where: Base-Base interactions energy: -753.723 where: short stacking energy: -287.630 Base-Backbone interact. energy: 0.608 local terms energy: -308.243800 where: bonds (distance) C4'-P energy: -56.956 bonds (distance) P-C4' energy: -64.061 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -79.918 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: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1045.341351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.341351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.341351 (E_RNA) where: Base-Base interactions energy: -743.776 where: short stacking energy: -295.064 Base-Backbone interact. energy: -1.036 local terms energy: -300.529275 where: bonds (distance) C4'-P energy: -57.239 bonds (distance) P-C4' energy: -60.305 flat angles C4'-P-C4' energy: -50.939 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -85.770 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: 247 Temperature: 1.100000 Total energy: -1008.150920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.150920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.150920 (E_RNA) where: Base-Base interactions energy: -696.106 where: short stacking energy: -270.792 Base-Backbone interact. energy: 0.447 local terms energy: -312.491887 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -42.139 tors. eta vs tors. theta energy: -77.576 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: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -926.640126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.640126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.640126 (E_RNA) where: Base-Base interactions energy: -633.082 where: short stacking energy: -246.774 Base-Backbone interact. energy: 0.142 local terms energy: -293.699913 where: bonds (distance) C4'-P energy: -57.338 bonds (distance) P-C4' energy: -58.481 flat angles C4'-P-C4' energy: -62.977 flat angles P-C4'-P energy: -42.981 tors. eta vs tors. theta energy: -71.923 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: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -858.563948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.563948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.563948 (E_RNA) where: Base-Base interactions energy: -549.043 where: short stacking energy: -237.528 Base-Backbone interact. energy: -0.680 local terms energy: -308.840679 where: bonds (distance) C4'-P energy: -63.898 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -62.450 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -67.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -619.708768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.708768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.708768 (E_RNA) where: Base-Base interactions energy: -382.262 where: short stacking energy: -160.470 Base-Backbone interact. energy: 0.080 local terms energy: -237.526718 where: bonds (distance) C4'-P energy: -55.572 bonds (distance) P-C4' energy: -57.172 flat angles C4'-P-C4' energy: -55.376 flat angles P-C4'-P energy: -26.119 tors. eta vs tors. theta energy: -43.287 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: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -409.678682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.678682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.678682 (E_RNA) where: Base-Base interactions energy: -215.726 where: short stacking energy: -105.492 Base-Backbone interact. energy: 0.248 local terms energy: -194.200585 where: bonds (distance) C4'-P energy: -47.864 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -23.214 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: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -390.494915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.494915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.494915 (E_RNA) where: Base-Base interactions energy: -217.562 where: short stacking energy: -110.296 Base-Backbone interact. energy: -1.105 local terms energy: -171.827768 where: bonds (distance) C4'-P energy: -46.084 bonds (distance) P-C4' energy: -56.172 flat angles C4'-P-C4' energy: -49.070 flat angles P-C4'-P energy: -18.977 tors. eta vs tors. theta energy: -1.525 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: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1162.565148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.565148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.565148 (E_RNA) where: Base-Base interactions energy: -819.828 where: short stacking energy: -320.526 Base-Backbone interact. energy: -1.292 local terms energy: -341.445623 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -75.245 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -93.147 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1194.565406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.565406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.565406 (E_RNA) where: Base-Base interactions energy: -853.359 where: short stacking energy: -326.611 Base-Backbone interact. energy: 0.546 local terms energy: -341.752691 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -57.058 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -44.798 tors. eta vs tors. theta energy: -101.013 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: 248 Temperature: 1.000000 Total energy: -1036.442548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.442548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.442548 (E_RNA) where: Base-Base interactions energy: -731.339 where: short stacking energy: -309.860 Base-Backbone interact. energy: -1.178 local terms energy: -303.925569 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -54.512 flat angles C4'-P-C4' energy: -71.218 flat angles P-C4'-P energy: -38.107 tors. eta vs tors. theta energy: -87.058 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: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1052.041855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.041855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.041855 (E_RNA) where: Base-Base interactions energy: -740.076 where: short stacking energy: -286.686 Base-Backbone interact. energy: 0.193 local terms energy: -312.159316 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -65.476 flat angles C4'-P-C4' energy: -65.131 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -78.263 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: 248 Temperature: 1.100000 Total energy: -1018.136451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.136451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.136451 (E_RNA) where: Base-Base interactions energy: -707.293 where: short stacking energy: -270.430 Base-Backbone interact. energy: -1.483 local terms energy: -309.361126 where: bonds (distance) C4'-P energy: -57.038 bonds (distance) P-C4' energy: -61.787 flat angles C4'-P-C4' energy: -68.476 flat angles P-C4'-P energy: -36.911 tors. eta vs tors. theta energy: -85.149 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: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -913.061402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.061402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.061402 (E_RNA) where: Base-Base interactions energy: -622.081 where: short stacking energy: -250.502 Base-Backbone interact. energy: -0.514 local terms energy: -290.466447 where: bonds (distance) C4'-P energy: -53.869 bonds (distance) P-C4' energy: -57.366 flat angles C4'-P-C4' energy: -74.507 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: -70.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -771.055970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.055970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.055970 (E_RNA) where: Base-Base interactions energy: -491.383 where: short stacking energy: -218.575 Base-Backbone interact. energy: 1.333 local terms energy: -281.005671 where: bonds (distance) C4'-P energy: -54.531 bonds (distance) P-C4' energy: -67.857 flat angles C4'-P-C4' energy: -67.586 flat angles P-C4'-P energy: -32.201 tors. eta vs tors. theta energy: -58.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -595.361326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.361326 (E_RNA) where: Base-Base interactions energy: -351.988 where: short stacking energy: -158.105 Base-Backbone interact. energy: 0.010 local terms energy: -243.383071 where: bonds (distance) C4'-P energy: -50.256 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -31.583 tors. eta vs tors. theta energy: -36.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -396.663170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.663170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.663170 (E_RNA) where: Base-Base interactions energy: -196.894 where: short stacking energy: -100.679 Base-Backbone interact. energy: 1.446 local terms energy: -201.215355 where: bonds (distance) C4'-P energy: -51.208 bonds (distance) P-C4' energy: -62.810 flat angles C4'-P-C4' energy: -51.857 flat angles P-C4'-P energy: -24.412 tors. eta vs tors. theta energy: -10.928 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: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -379.985620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.985620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.985620 (E_RNA) where: Base-Base interactions energy: -177.749 where: short stacking energy: -80.804 Base-Backbone interact. energy: 1.901 local terms energy: -204.137744 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -50.309 flat angles P-C4'-P energy: -25.864 tors. eta vs tors. theta energy: 1.365 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: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1174.422625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.422625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.422625 (E_RNA) where: Base-Base interactions energy: -801.980 where: short stacking energy: -314.781 Base-Backbone interact. energy: -0.964 local terms energy: -371.478266 where: bonds (distance) C4'-P energy: -70.515 bonds (distance) P-C4' energy: -71.035 flat angles C4'-P-C4' energy: -78.730 flat angles P-C4'-P energy: -51.305 tors. eta vs tors. theta energy: -99.893 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: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1205.306045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.306045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.306045 (E_RNA) where: Base-Base interactions energy: -842.978 where: short stacking energy: -334.525 Base-Backbone interact. energy: -2.058 local terms energy: -360.270260 where: bonds (distance) C4'-P energy: -66.896 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -101.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1117.194568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.194568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.194568 (E_RNA) where: Base-Base interactions energy: -753.458 where: short stacking energy: -304.148 Base-Backbone interact. energy: 0.610 local terms energy: -364.345842 where: bonds (distance) C4'-P energy: -67.900 bonds (distance) P-C4' energy: -71.745 flat angles C4'-P-C4' energy: -76.356 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -92.302 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: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1047.565640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.565640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.565640 (E_RNA) where: Base-Base interactions energy: -749.348 where: short stacking energy: -274.323 Base-Backbone interact. energy: -0.141 local terms energy: -298.077061 where: bonds (distance) C4'-P energy: -49.316 bonds (distance) P-C4' energy: -64.165 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -79.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1029.081774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.081774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.081774 (E_RNA) where: Base-Base interactions energy: -723.295 where: short stacking energy: -283.527 Base-Backbone interact. energy: 2.616 local terms energy: -308.403060 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -62.924 flat angles P-C4'-P energy: -37.963 tors. eta vs tors. theta energy: -86.224 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: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -841.930045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.930045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.930045 (E_RNA) where: Base-Base interactions energy: -572.039 where: short stacking energy: -231.726 Base-Backbone interact. energy: -0.621 local terms energy: -269.269556 where: bonds (distance) C4'-P energy: -52.532 bonds (distance) P-C4' energy: -56.008 flat angles C4'-P-C4' energy: -60.068 flat angles P-C4'-P energy: -39.797 tors. eta vs tors. theta energy: -60.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -853.280510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.280510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.280510 (E_RNA) where: Base-Base interactions energy: -605.140 where: short stacking energy: -257.755 Base-Backbone interact. energy: -0.698 local terms energy: -247.442192 where: bonds (distance) C4'-P energy: -53.621 bonds (distance) P-C4' energy: -38.273 flat angles C4'-P-C4' energy: -51.616 flat angles P-C4'-P energy: -34.015 tors. eta vs tors. theta energy: -69.917 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: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -590.714655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.714655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.714655 (E_RNA) where: Base-Base interactions energy: -341.170 where: short stacking energy: -160.221 Base-Backbone interact. energy: 0.444 local terms energy: -249.988726 where: bonds (distance) C4'-P energy: -67.109 bonds (distance) P-C4' energy: -63.590 flat angles C4'-P-C4' energy: -55.670 flat angles P-C4'-P energy: -30.362 tors. eta vs tors. theta energy: -33.259 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: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -420.222017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.222017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.222017 (E_RNA) where: Base-Base interactions energy: -204.315 where: short stacking energy: -116.358 Base-Backbone interact. energy: 2.236 local terms energy: -218.143070 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -56.195 flat angles P-C4'-P energy: -31.248 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -408.015572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.015572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.015572 (E_RNA) where: Base-Base interactions energy: -186.288 where: short stacking energy: -100.175 Base-Backbone interact. energy: 0.477 local terms energy: -222.204286 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -53.783 flat angles C4'-P-C4' energy: -52.030 flat angles P-C4'-P energy: -36.747 tors. eta vs tors. theta energy: -19.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1202.732043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.732043 (E_RNA) where: Base-Base interactions energy: -855.527 where: short stacking energy: -320.518 Base-Backbone interact. energy: 0.451 local terms energy: -347.655604 where: bonds (distance) C4'-P energy: -66.477 bonds (distance) P-C4' energy: -61.448 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -50.237 tors. eta vs tors. theta energy: -93.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1157.898881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.898881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.898881 (E_RNA) where: Base-Base interactions energy: -818.334 where: short stacking energy: -321.214 Base-Backbone interact. energy: -1.929 local terms energy: -337.635389 where: bonds (distance) C4'-P energy: -58.113 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -72.778 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -98.607 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: 250 Temperature: 1.000000 Total energy: -1107.857398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.857398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.857398 (E_RNA) where: Base-Base interactions energy: -745.820 where: short stacking energy: -314.871 Base-Backbone interact. energy: -1.452 local terms energy: -360.585217 where: bonds (distance) C4'-P energy: -68.216 bonds (distance) P-C4' energy: -65.160 flat angles C4'-P-C4' energy: -71.420 flat angles P-C4'-P energy: -54.416 tors. eta vs tors. theta energy: -101.374 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: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1038.569232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.569232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.569232 (E_RNA) where: Base-Base interactions energy: -713.097 where: short stacking energy: -283.424 Base-Backbone interact. energy: 0.610 local terms energy: -326.082109 where: bonds (distance) C4'-P energy: -58.517 bonds (distance) P-C4' energy: -62.362 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -46.767 tors. eta vs tors. theta energy: -84.992 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: 250 Temperature: 1.100000 Total energy: -1061.886629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.886629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.886629 (E_RNA) where: Base-Base interactions energy: -730.425 where: short stacking energy: -289.947 Base-Backbone interact. energy: -2.246 local terms energy: -329.215435 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -54.929 flat angles C4'-P-C4' energy: -75.234 flat angles P-C4'-P energy: -50.678 tors. eta vs tors. theta energy: -77.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -859.673572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.673572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.673572 (E_RNA) where: Base-Base interactions energy: -565.249 where: short stacking energy: -237.939 Base-Backbone interact. energy: 1.946 local terms energy: -296.370336 where: bonds (distance) C4'-P energy: -54.308 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -56.606 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: -74.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -858.412631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.412631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.412631 (E_RNA) where: Base-Base interactions energy: -591.002 where: short stacking energy: -224.778 Base-Backbone interact. energy: -0.562 local terms energy: -266.848207 where: bonds (distance) C4'-P energy: -48.672 bonds (distance) P-C4' energy: -55.859 flat angles C4'-P-C4' energy: -56.784 flat angles P-C4'-P energy: -48.165 tors. eta vs tors. theta energy: -57.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -594.634236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.634236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.634236 (E_RNA) where: Base-Base interactions energy: -368.299 where: short stacking energy: -171.353 Base-Backbone interact. energy: 1.268 local terms energy: -227.602912 where: bonds (distance) C4'-P energy: -57.168 bonds (distance) P-C4' energy: -57.653 flat angles C4'-P-C4' energy: -51.692 flat angles P-C4'-P energy: -36.675 tors. eta vs tors. theta energy: -24.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -399.453409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.453409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.453409 (E_RNA) where: Base-Base interactions energy: -173.557 where: short stacking energy: -116.333 Base-Backbone interact. energy: -0.539 local terms energy: -225.357311 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -49.311 flat angles C4'-P-C4' energy: -53.090 flat angles P-C4'-P energy: -34.299 tors. eta vs tors. theta energy: -22.811 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: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -377.965033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.965033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.965033 (E_RNA) where: Base-Base interactions energy: -165.318 where: short stacking energy: -96.371 Base-Backbone interact. energy: 2.178 local terms energy: -214.824631 where: bonds (distance) C4'-P energy: -52.676 bonds (distance) P-C4' energy: -63.209 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -35.400 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1218.676693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.676693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.676693 (E_RNA) where: Base-Base interactions energy: -865.596 where: short stacking energy: -325.630 Base-Backbone interact. energy: -0.843 local terms energy: -352.238026 where: bonds (distance) C4'-P energy: -67.109 bonds (distance) P-C4' energy: -67.951 flat angles C4'-P-C4' energy: -72.080 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -96.820 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: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1188.861558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.861558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.861558 (E_RNA) where: Base-Base interactions energy: -826.357 where: short stacking energy: -329.720 Base-Backbone interact. energy: 0.033 local terms energy: -362.537855 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -83.984 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -95.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1105.944687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.944687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.944687 (E_RNA) where: Base-Base interactions energy: -768.056 where: short stacking energy: -313.898 Base-Backbone interact. energy: -1.726 local terms energy: -336.162670 where: bonds (distance) C4'-P energy: -51.636 bonds (distance) P-C4' energy: -65.977 flat angles C4'-P-C4' energy: -75.991 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -99.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1047.241473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.241473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.241473 (E_RNA) where: Base-Base interactions energy: -710.524 where: short stacking energy: -285.193 Base-Backbone interact. energy: -1.244 local terms energy: -335.473477 where: bonds (distance) C4'-P energy: -68.257 bonds (distance) P-C4' energy: -70.686 flat angles C4'-P-C4' energy: -60.381 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -81.788 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: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1027.194847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.194847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.194847 (E_RNA) where: Base-Base interactions energy: -708.109 where: short stacking energy: -272.201 Base-Backbone interact. energy: -0.086 local terms energy: -319.000628 where: bonds (distance) C4'-P energy: -67.273 bonds (distance) P-C4' energy: -73.015 flat angles C4'-P-C4' energy: -64.843 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -74.714 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: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -854.611219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.611219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.611219 (E_RNA) where: Base-Base interactions energy: -587.045 where: short stacking energy: -231.050 Base-Backbone interact. energy: -1.026 local terms energy: -266.540232 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -60.728 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: -55.727 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -838.453278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.453278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.453278 (E_RNA) where: Base-Base interactions energy: -557.759 where: short stacking energy: -233.422 Base-Backbone interact. energy: -0.917 local terms energy: -279.776900 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -55.478 flat angles C4'-P-C4' energy: -56.846 flat angles P-C4'-P energy: -32.473 tors. eta vs tors. theta energy: -72.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -594.721650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.721650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.721650 (E_RNA) where: Base-Base interactions energy: -368.719 where: short stacking energy: -183.041 Base-Backbone interact. energy: 0.241 local terms energy: -226.243711 where: bonds (distance) C4'-P energy: -56.463 bonds (distance) P-C4' energy: -63.566 flat angles C4'-P-C4' energy: -53.495 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -42.579 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: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -434.868024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.868024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.868024 (E_RNA) where: Base-Base interactions energy: -237.516 where: short stacking energy: -116.016 Base-Backbone interact. energy: 0.003 local terms energy: -197.354719 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -58.522 flat angles C4'-P-C4' energy: -53.005 flat angles P-C4'-P energy: -29.155 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -380.093244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.093244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.093244 (E_RNA) where: Base-Base interactions energy: -195.130 where: short stacking energy: -125.837 Base-Backbone interact. energy: -1.009 local terms energy: -183.954486 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -53.176 flat angles C4'-P-C4' energy: -36.566 flat angles P-C4'-P energy: -22.491 tors. eta vs tors. theta energy: -8.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1223.331514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.331514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.331514 (E_RNA) where: Base-Base interactions energy: -880.912 where: short stacking energy: -331.677 Base-Backbone interact. energy: -1.859 local terms energy: -340.560306 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -67.846 flat angles C4'-P-C4' energy: -68.858 flat angles P-C4'-P energy: -43.882 tors. eta vs tors. theta energy: -99.779 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: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1159.582675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.582675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.582675 (E_RNA) where: Base-Base interactions energy: -807.587 where: short stacking energy: -322.719 Base-Backbone interact. energy: -0.199 local terms energy: -351.796093 where: bonds (distance) C4'-P energy: -60.762 bonds (distance) P-C4' energy: -71.877 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -99.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1086.478121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.478121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.478121 (E_RNA) where: Base-Base interactions energy: -757.276 where: short stacking energy: -305.255 Base-Backbone interact. energy: 1.476 local terms energy: -330.677978 where: bonds (distance) C4'-P energy: -57.045 bonds (distance) P-C4' energy: -58.172 flat angles C4'-P-C4' energy: -76.901 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -94.221 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: 252 Temperature: 1.050000 Total energy: -1053.106381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.106381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.106381 (E_RNA) where: Base-Base interactions energy: -725.124 where: short stacking energy: -294.513 Base-Backbone interact. energy: -0.667 local terms energy: -327.314601 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -70.070 flat angles C4'-P-C4' energy: -66.978 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -86.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1038.025130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.025130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.025130 (E_RNA) where: Base-Base interactions energy: -709.581 where: short stacking energy: -286.360 Base-Backbone interact. energy: -0.749 local terms energy: -327.695235 where: bonds (distance) C4'-P energy: -62.330 bonds (distance) P-C4' energy: -71.020 flat angles C4'-P-C4' energy: -58.093 flat angles P-C4'-P energy: -49.153 tors. eta vs tors. theta energy: -87.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -895.890010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.890010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.890010 (E_RNA) where: Base-Base interactions energy: -619.387 where: short stacking energy: -265.764 Base-Backbone interact. energy: -1.044 local terms energy: -275.458372 where: bonds (distance) C4'-P energy: -50.313 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -64.258 flat angles P-C4'-P energy: -36.479 tors. eta vs tors. theta energy: -64.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -783.116136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.116136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.116136 (E_RNA) where: Base-Base interactions energy: -521.224 where: short stacking energy: -233.023 Base-Backbone interact. energy: 2.237 local terms energy: -264.129851 where: bonds (distance) C4'-P energy: -55.119 bonds (distance) P-C4' energy: -33.923 flat angles C4'-P-C4' energy: -64.443 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -70.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -569.814343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.814343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.814343 (E_RNA) where: Base-Base interactions energy: -345.924 where: short stacking energy: -160.106 Base-Backbone interact. energy: -0.947 local terms energy: -222.942662 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -53.197 flat angles C4'-P-C4' energy: -49.343 flat angles P-C4'-P energy: -36.250 tors. eta vs tors. theta energy: -28.287 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: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -406.937060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.937060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.937060 (E_RNA) where: Base-Base interactions energy: -192.133 where: short stacking energy: -107.838 Base-Backbone interact. energy: 5.993 local terms energy: -220.797019 where: bonds (distance) C4'-P energy: -51.518 bonds (distance) P-C4' energy: -63.488 flat angles C4'-P-C4' energy: -53.496 flat angles P-C4'-P energy: -34.756 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -408.409799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.409799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.409799 (E_RNA) where: Base-Base interactions energy: -221.150 where: short stacking energy: -120.202 Base-Backbone interact. energy: -1.489 local terms energy: -185.771532 where: bonds (distance) C4'-P energy: -45.863 bonds (distance) P-C4' energy: -56.315 flat angles C4'-P-C4' energy: -30.081 flat angles P-C4'-P energy: -33.882 tors. eta vs tors. theta energy: -19.631 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: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1234.620297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.620297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.620297 (E_RNA) where: Base-Base interactions energy: -885.619 where: short stacking energy: -332.532 Base-Backbone interact. energy: -1.159 local terms energy: -347.842856 where: bonds (distance) C4'-P energy: -61.357 bonds (distance) P-C4' energy: -70.270 flat angles C4'-P-C4' energy: -68.753 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -99.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1157.311993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.311993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.311993 (E_RNA) where: Base-Base interactions energy: -808.006 where: short stacking energy: -332.494 Base-Backbone interact. energy: -0.255 local terms energy: -349.051172 where: bonds (distance) C4'-P energy: -60.679 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -91.031 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: 253 Temperature: 1.000000 Total energy: -1085.891019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.891019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.891019 (E_RNA) where: Base-Base interactions energy: -763.624 where: short stacking energy: -304.019 Base-Backbone interact. energy: -0.922 local terms energy: -321.345714 where: bonds (distance) C4'-P energy: -60.654 bonds (distance) P-C4' energy: -56.825 flat angles C4'-P-C4' energy: -72.782 flat angles P-C4'-P energy: -43.584 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: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1059.308569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.308569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.308569 (E_RNA) where: Base-Base interactions energy: -748.717 where: short stacking energy: -288.431 Base-Backbone interact. energy: 1.778 local terms energy: -312.369882 where: bonds (distance) C4'-P energy: -52.116 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -47.863 tors. eta vs tors. theta energy: -80.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1025.919695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.919695 (E_RNA) where: Base-Base interactions energy: -709.209 where: short stacking energy: -282.656 Base-Backbone interact. energy: -0.120 local terms energy: -316.590973 where: bonds (distance) C4'-P energy: -64.471 bonds (distance) P-C4' energy: -51.948 flat angles C4'-P-C4' energy: -66.175 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -85.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -778.843918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.843918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.843918 (E_RNA) where: Base-Base interactions energy: -501.581 where: short stacking energy: -233.139 Base-Backbone interact. energy: -1.276 local terms energy: -275.986023 where: bonds (distance) C4'-P energy: -50.021 bonds (distance) P-C4' energy: -52.979 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -65.813 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: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -832.586780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.586780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.586780 (E_RNA) where: Base-Base interactions energy: -580.674 where: short stacking energy: -234.315 Base-Backbone interact. energy: 0.520 local terms energy: -252.433250 where: bonds (distance) C4'-P energy: -66.797 bonds (distance) P-C4' energy: -52.246 flat angles C4'-P-C4' energy: -53.843 flat angles P-C4'-P energy: -27.254 tors. eta vs tors. theta energy: -52.293 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: 253 Temperature: 1.250000 Total energy: -592.519208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.519208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.519208 (E_RNA) where: Base-Base interactions energy: -384.854 where: short stacking energy: -168.097 Base-Backbone interact. energy: -1.049 local terms energy: -206.616234 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -43.380 flat angles C4'-P-C4' energy: -50.278 flat angles P-C4'-P energy: -24.298 tors. eta vs tors. theta energy: -35.145 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: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -396.229109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.229109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.229109 (E_RNA) where: Base-Base interactions energy: -196.656 where: short stacking energy: -106.283 Base-Backbone interact. energy: 0.898 local terms energy: -200.470766 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -54.904 flat angles C4'-P-C4' energy: -47.624 flat angles P-C4'-P energy: -35.222 tors. eta vs tors. theta energy: -8.735 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: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -365.146221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.146221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.146221 (E_RNA) where: Base-Base interactions energy: -185.603 where: short stacking energy: -112.980 Base-Backbone interact. energy: -2.005 local terms energy: -177.538976 where: bonds (distance) C4'-P energy: -59.693 bonds (distance) P-C4' energy: -32.317 flat angles C4'-P-C4' energy: -48.346 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1236.019817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.019817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.019817 (E_RNA) where: Base-Base interactions energy: -888.566 where: short stacking energy: -329.417 Base-Backbone interact. energy: -1.350 local terms energy: -346.103533 where: bonds (distance) C4'-P energy: -64.109 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -74.882 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -101.494 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: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1129.093558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.093558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.093558 (E_RNA) where: Base-Base interactions energy: -796.741 where: short stacking energy: -319.562 Base-Backbone interact. energy: -2.467 local terms energy: -329.886432 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -70.106 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -91.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1103.947077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.947077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.947077 (E_RNA) where: Base-Base interactions energy: -772.483 where: short stacking energy: -319.835 Base-Backbone interact. energy: -3.247 local terms energy: -328.216738 where: bonds (distance) C4'-P energy: -70.330 bonds (distance) P-C4' energy: -52.254 flat angles C4'-P-C4' energy: -67.301 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -93.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1035.025670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.025670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.025670 (E_RNA) where: Base-Base interactions energy: -713.188 where: short stacking energy: -279.221 Base-Backbone interact. energy: 1.015 local terms energy: -322.852616 where: bonds (distance) C4'-P energy: -64.416 bonds (distance) P-C4' energy: -65.341 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -31.563 tors. eta vs tors. theta energy: -90.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1017.205104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.205104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.205104 (E_RNA) where: Base-Base interactions energy: -710.995 where: short stacking energy: -286.917 Base-Backbone interact. energy: -0.361 local terms energy: -305.848943 where: bonds (distance) C4'-P energy: -49.553 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -67.473 flat angles P-C4'-P energy: -41.879 tors. eta vs tors. theta energy: -89.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -813.681185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.681185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.681185 (E_RNA) where: Base-Base interactions energy: -544.068 where: short stacking energy: -242.731 Base-Backbone interact. energy: -1.525 local terms energy: -268.088271 where: bonds (distance) C4'-P energy: -52.621 bonds (distance) P-C4' energy: -54.298 flat angles C4'-P-C4' energy: -64.954 flat angles P-C4'-P energy: -31.606 tors. eta vs tors. theta energy: -64.609 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: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -855.363495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.363495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.363495 (E_RNA) where: Base-Base interactions energy: -605.295 where: short stacking energy: -245.009 Base-Backbone interact. energy: 1.597 local terms energy: -251.665862 where: bonds (distance) C4'-P energy: -45.729 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -53.237 flat angles P-C4'-P energy: -36.528 tors. eta vs tors. theta energy: -57.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -583.170037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.170037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.170037 (E_RNA) where: Base-Base interactions energy: -342.646 where: short stacking energy: -155.319 Base-Backbone interact. energy: -0.889 local terms energy: -239.634620 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -51.835 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -27.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -424.548612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.548612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.548612 (E_RNA) where: Base-Base interactions energy: -217.077 where: short stacking energy: -135.203 Base-Backbone interact. energy: 0.183 local terms energy: -207.654537 where: bonds (distance) C4'-P energy: -45.238 bonds (distance) P-C4' energy: -61.945 flat angles C4'-P-C4' energy: -57.870 flat angles P-C4'-P energy: -32.936 tors. eta vs tors. theta energy: -9.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -409.073688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.073688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.073688 (E_RNA) where: Base-Base interactions energy: -226.457 where: short stacking energy: -109.680 Base-Backbone interact. energy: 1.392 local terms energy: -184.008804 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -53.815 flat angles C4'-P-C4' energy: -36.445 flat angles P-C4'-P energy: -34.832 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1235.076715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.076715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.076715 (E_RNA) where: Base-Base interactions energy: -884.725 where: short stacking energy: -321.909 Base-Backbone interact. energy: -1.586 local terms energy: -348.766047 where: bonds (distance) C4'-P energy: -59.702 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -98.946 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: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1150.490294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.490294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.490294 (E_RNA) where: Base-Base interactions energy: -813.547 where: short stacking energy: -327.978 Base-Backbone interact. energy: -3.038 local terms energy: -333.905635 where: bonds (distance) C4'-P energy: -57.744 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -71.329 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -92.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1058.551020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.551020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.551020 (E_RNA) where: Base-Base interactions energy: -738.023 where: short stacking energy: -306.084 Base-Backbone interact. energy: -0.516 local terms energy: -320.011432 where: bonds (distance) C4'-P energy: -56.013 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -47.615 tors. eta vs tors. theta energy: -87.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1045.565170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.565170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.565170 (E_RNA) where: Base-Base interactions energy: -730.656 where: short stacking energy: -284.599 Base-Backbone interact. energy: 0.440 local terms energy: -315.349220 where: bonds (distance) C4'-P energy: -60.834 bonds (distance) P-C4' energy: -62.544 flat angles C4'-P-C4' energy: -63.442 flat angles P-C4'-P energy: -39.301 tors. eta vs tors. theta energy: -89.229 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: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1046.385331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.385331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.385331 (E_RNA) where: Base-Base interactions energy: -725.150 where: short stacking energy: -297.295 Base-Backbone interact. energy: -1.437 local terms energy: -319.798659 where: bonds (distance) C4'-P energy: -63.774 bonds (distance) P-C4' energy: -52.520 flat angles C4'-P-C4' energy: -73.117 flat angles P-C4'-P energy: -46.587 tors. eta vs tors. theta energy: -83.801 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: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -872.417609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.417609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.417609 (E_RNA) where: Base-Base interactions energy: -612.856 where: short stacking energy: -249.918 Base-Backbone interact. energy: -2.195 local terms energy: -257.367233 where: bonds (distance) C4'-P energy: -53.298 bonds (distance) P-C4' energy: -49.992 flat angles C4'-P-C4' energy: -58.647 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -60.001 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -784.095783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.095783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.095783 (E_RNA) where: Base-Base interactions energy: -518.089 where: short stacking energy: -228.271 Base-Backbone interact. energy: 1.372 local terms energy: -267.378684 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -52.095 flat angles C4'-P-C4' energy: -50.844 flat angles P-C4'-P energy: -38.195 tors. eta vs tors. theta energy: -67.594 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: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -646.322278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.322278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.322278 (E_RNA) where: Base-Base interactions energy: -387.668 where: short stacking energy: -195.699 Base-Backbone interact. energy: 1.593 local terms energy: -260.246512 where: bonds (distance) C4'-P energy: -63.799 bonds (distance) P-C4' energy: -57.271 flat angles C4'-P-C4' energy: -54.363 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -44.838 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: 255 Temperature: 1.300000 Total energy: -422.423436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.423436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.423436 (E_RNA) where: Base-Base interactions energy: -226.683 where: short stacking energy: -126.365 Base-Backbone interact. energy: -0.933 local terms energy: -194.807195 where: bonds (distance) C4'-P energy: -43.070 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -47.292 flat angles P-C4'-P energy: -26.937 tors. eta vs tors. theta energy: -14.896 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: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -414.835617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.835617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.835617 (E_RNA) where: Base-Base interactions energy: -232.148 where: short stacking energy: -106.077 Base-Backbone interact. energy: -2.119 local terms energy: -180.569151 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -57.738 flat angles C4'-P-C4' energy: -41.591 flat angles P-C4'-P energy: -20.062 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1215.703474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.703474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.703474 (E_RNA) where: Base-Base interactions energy: -868.647 where: short stacking energy: -328.480 Base-Backbone interact. energy: -2.551 local terms energy: -344.505933 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -67.645 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -99.723 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: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1176.947379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.947379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.947379 (E_RNA) where: Base-Base interactions energy: -824.666 where: short stacking energy: -337.073 Base-Backbone interact. energy: -1.850 local terms energy: -350.431194 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -63.882 flat angles C4'-P-C4' energy: -78.301 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -100.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1113.136166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.136166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.136166 (E_RNA) where: Base-Base interactions energy: -776.942 where: short stacking energy: -309.063 Base-Backbone interact. energy: 1.640 local terms energy: -337.834401 where: bonds (distance) C4'-P energy: -54.276 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -72.144 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -97.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1045.504851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.504851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.504851 (E_RNA) where: Base-Base interactions energy: -728.330 where: short stacking energy: -291.180 Base-Backbone interact. energy: -2.032 local terms energy: -315.142064 where: bonds (distance) C4'-P energy: -54.594 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -60.260 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -86.247 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: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -993.506686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.506686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.506686 (E_RNA) where: Base-Base interactions energy: -663.930 where: short stacking energy: -280.834 Base-Backbone interact. energy: 0.851 local terms energy: -330.428216 where: bonds (distance) C4'-P energy: -55.174 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -75.357 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -89.352 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: 256 Temperature: 1.150000 Total energy: -872.785140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.785140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.785140 (E_RNA) where: Base-Base interactions energy: -579.352 where: short stacking energy: -253.220 Base-Backbone interact. energy: -2.556 local terms energy: -290.877191 where: bonds (distance) C4'-P energy: -47.805 bonds (distance) P-C4' energy: -66.442 flat angles C4'-P-C4' energy: -61.291 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -69.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -748.771074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.771074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.771074 (E_RNA) where: Base-Base interactions energy: -491.652 where: short stacking energy: -215.378 Base-Backbone interact. energy: -0.583 local terms energy: -256.535967 where: bonds (distance) C4'-P energy: -51.032 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -53.138 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -59.251 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: 256 Temperature: 1.250000 Total energy: -585.002737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.002737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.002737 (E_RNA) where: Base-Base interactions energy: -359.041 where: short stacking energy: -168.073 Base-Backbone interact. energy: -0.997 local terms energy: -224.965421 where: bonds (distance) C4'-P energy: -57.674 bonds (distance) P-C4' energy: -47.276 flat angles C4'-P-C4' energy: -51.128 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -33.201 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: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -396.895308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.895308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.895308 (E_RNA) where: Base-Base interactions energy: -200.728 where: short stacking energy: -130.119 Base-Backbone interact. energy: -1.268 local terms energy: -194.899534 where: bonds (distance) C4'-P energy: -49.371 bonds (distance) P-C4' energy: -58.103 flat angles C4'-P-C4' energy: -42.558 flat angles P-C4'-P energy: -36.786 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -384.405324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.405324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.405324 (E_RNA) where: Base-Base interactions energy: -206.157 where: short stacking energy: -120.066 Base-Backbone interact. energy: 2.702 local terms energy: -180.950321 where: bonds (distance) C4'-P energy: -43.533 bonds (distance) P-C4' energy: -56.132 flat angles C4'-P-C4' energy: -41.081 flat angles P-C4'-P energy: -35.212 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1233.386346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.386346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.386346 (E_RNA) where: Base-Base interactions energy: -886.245 where: short stacking energy: -331.150 Base-Backbone interact. energy: -3.341 local terms energy: -343.800680 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -62.144 flat angles C4'-P-C4' energy: -72.503 flat angles P-C4'-P energy: -45.442 tors. eta vs tors. theta energy: -91.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1138.345994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.345994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.345994 (E_RNA) where: Base-Base interactions energy: -804.755 where: short stacking energy: -308.316 Base-Backbone interact. energy: -1.727 local terms energy: -331.864365 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -68.734 flat angles P-C4'-P energy: -44.053 tors. eta vs tors. theta energy: -85.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1099.277238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.277238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.277238 (E_RNA) where: Base-Base interactions energy: -759.404 where: short stacking energy: -305.445 Base-Backbone interact. energy: -0.203 local terms energy: -339.670162 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -72.998 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -96.049 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: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1048.126452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.126452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.126452 (E_RNA) where: Base-Base interactions energy: -718.508 where: short stacking energy: -308.556 Base-Backbone interact. energy: -1.709 local terms energy: -327.909438 where: bonds (distance) C4'-P energy: -63.166 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -69.630 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -94.844 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: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -980.041480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.041480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.041480 (E_RNA) where: Base-Base interactions energy: -667.933 where: short stacking energy: -285.261 Base-Backbone interact. energy: 0.388 local terms energy: -312.496363 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -55.007 flat angles C4'-P-C4' energy: -64.180 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -83.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -876.711106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.711106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.711106 (E_RNA) where: Base-Base interactions energy: -592.514 where: short stacking energy: -233.478 Base-Backbone interact. energy: -2.074 local terms energy: -282.122474 where: bonds (distance) C4'-P energy: -62.049 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -26.465 tors. eta vs tors. theta energy: -65.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -750.366481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.366481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.366481 (E_RNA) where: Base-Base interactions energy: -483.088 where: short stacking energy: -221.435 Base-Backbone interact. energy: -1.596 local terms energy: -265.682548 where: bonds (distance) C4'-P energy: -41.273 bonds (distance) P-C4' energy: -70.877 flat angles C4'-P-C4' energy: -60.772 flat angles P-C4'-P energy: -47.773 tors. eta vs tors. theta energy: -44.988 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: 257 Temperature: 1.250000 Total energy: -610.552969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.552969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.552969 (E_RNA) where: Base-Base interactions energy: -346.278 where: short stacking energy: -156.832 Base-Backbone interact. energy: -1.664 local terms energy: -262.611823 where: bonds (distance) C4'-P energy: -66.995 bonds (distance) P-C4' energy: -63.600 flat angles C4'-P-C4' energy: -62.610 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -27.942 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: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -416.667482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.667482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.667482 (E_RNA) where: Base-Base interactions energy: -207.833 where: short stacking energy: -114.153 Base-Backbone interact. energy: -1.183 local terms energy: -207.651638 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -54.473 flat angles P-C4'-P energy: -29.191 tors. eta vs tors. theta energy: -7.889 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: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -369.867995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.867995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.867995 (E_RNA) where: Base-Base interactions energy: -193.404 where: short stacking energy: -89.838 Base-Backbone interact. energy: -2.571 local terms energy: -173.892838 where: bonds (distance) C4'-P energy: -50.779 bonds (distance) P-C4' energy: -53.041 flat angles C4'-P-C4' energy: -41.992 flat angles P-C4'-P energy: -21.823 tors. eta vs tors. theta energy: -6.257 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: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1215.509728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.509728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.509728 (E_RNA) where: Base-Base interactions energy: -875.922 where: short stacking energy: -332.116 Base-Backbone interact. energy: -0.333 local terms energy: -339.255216 where: bonds (distance) C4'-P energy: -59.499 bonds (distance) P-C4' energy: -69.281 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -44.399 tors. eta vs tors. theta energy: -93.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1147.828892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.828892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.828892 (E_RNA) where: Base-Base interactions energy: -788.221 where: short stacking energy: -309.039 Base-Backbone interact. energy: 1.595 local terms energy: -361.203328 where: bonds (distance) C4'-P energy: -65.304 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -79.742 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -94.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1082.401848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.401848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.401848 (E_RNA) where: Base-Base interactions energy: -759.941 where: short stacking energy: -300.538 Base-Backbone interact. energy: -0.984 local terms energy: -321.476872 where: bonds (distance) C4'-P energy: -46.669 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -75.666 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -85.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1054.058628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.058628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.058628 (E_RNA) where: Base-Base interactions energy: -724.993 where: short stacking energy: -287.911 Base-Backbone interact. energy: 0.790 local terms energy: -329.855201 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -65.415 flat angles C4'-P-C4' energy: -71.507 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -86.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1002.110467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.110467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.110467 (E_RNA) where: Base-Base interactions energy: -689.382 where: short stacking energy: -272.500 Base-Backbone interact. energy: -0.650 local terms energy: -312.077964 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -55.196 flat angles C4'-P-C4' energy: -65.005 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: -80.259 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: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -911.408038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.408038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.408038 (E_RNA) where: Base-Base interactions energy: -623.516 where: short stacking energy: -266.864 Base-Backbone interact. energy: -1.565 local terms energy: -286.326834 where: bonds (distance) C4'-P energy: -57.794 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -39.645 tors. eta vs tors. theta energy: -59.115 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: 7, replica: 4 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -776.126733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.126733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.126733 (E_RNA) where: Base-Base interactions energy: -502.759 where: short stacking energy: -220.112 Base-Backbone interact. energy: 0.642 local terms energy: -274.008963 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -33.343 tors. eta vs tors. theta energy: -56.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -553.378827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.378827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.378827 (E_RNA) where: Base-Base interactions energy: -345.065 where: short stacking energy: -160.488 Base-Backbone interact. energy: 0.295 local terms energy: -208.608471 where: bonds (distance) C4'-P energy: -51.279 bonds (distance) P-C4' energy: -46.119 flat angles C4'-P-C4' energy: -60.468 flat angles P-C4'-P energy: -39.268 tors. eta vs tors. theta energy: -11.474 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: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -492.045850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.045850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.045850 (E_RNA) where: Base-Base interactions energy: -277.603 where: short stacking energy: -131.915 Base-Backbone interact. energy: -2.002 local terms energy: -212.440164 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -52.532 flat angles C4'-P-C4' energy: -54.043 flat angles P-C4'-P energy: -30.129 tors. eta vs tors. theta energy: -21.545 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: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -392.267589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.267589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.267589 (E_RNA) where: Base-Base interactions energy: -194.389 where: short stacking energy: -117.754 Base-Backbone interact. energy: -0.483 local terms energy: -197.395714 where: bonds (distance) C4'-P energy: -48.209 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -33.209 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1219.959930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.959930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.959930 (E_RNA) where: Base-Base interactions energy: -877.442 where: short stacking energy: -319.994 Base-Backbone interact. energy: -1.583 local terms energy: -340.935323 where: bonds (distance) C4'-P energy: -71.402 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -48.951 tors. eta vs tors. theta energy: -91.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1146.995077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.995077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.995077 (E_RNA) where: Base-Base interactions energy: -803.930 where: short stacking energy: -321.951 Base-Backbone interact. energy: -2.247 local terms energy: -340.818674 where: bonds (distance) C4'-P energy: -66.234 bonds (distance) P-C4' energy: -65.501 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -84.359 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: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1070.109562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.109562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.109562 (E_RNA) where: Base-Base interactions energy: -772.181 where: short stacking energy: -316.279 Base-Backbone interact. energy: -0.136 local terms energy: -297.792202 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -49.893 flat angles C4'-P-C4' energy: -66.208 flat angles P-C4'-P energy: -43.750 tors. eta vs tors. theta energy: -81.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1075.074672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.074672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.074672 (E_RNA) where: Base-Base interactions energy: -749.055 where: short stacking energy: -313.950 Base-Backbone interact. energy: -0.823 local terms energy: -325.196314 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -68.761 flat angles C4'-P-C4' energy: -68.469 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -90.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1003.617802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.617802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.617802 (E_RNA) where: Base-Base interactions energy: -676.288 where: short stacking energy: -284.190 Base-Backbone interact. energy: -0.712 local terms energy: -326.617804 where: bonds (distance) C4'-P energy: -73.094 bonds (distance) P-C4' energy: -63.014 flat angles C4'-P-C4' energy: -65.116 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -81.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -903.594765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.594765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.594765 (E_RNA) where: Base-Base interactions energy: -632.721 where: short stacking energy: -273.832 Base-Backbone interact. energy: 1.430 local terms energy: -272.303637 where: bonds (distance) C4'-P energy: -47.044 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -62.180 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -62.999 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: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -763.969108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.969108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.969108 (E_RNA) where: Base-Base interactions energy: -494.632 where: short stacking energy: -192.970 Base-Backbone interact. energy: -1.488 local terms energy: -267.848529 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -38.673 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: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -559.452182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.452182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.452182 (E_RNA) where: Base-Base interactions energy: -312.987 where: short stacking energy: -158.963 Base-Backbone interact. energy: -1.661 local terms energy: -244.804701 where: bonds (distance) C4'-P energy: -52.004 bonds (distance) P-C4' energy: -59.137 flat angles C4'-P-C4' energy: -64.105 flat angles P-C4'-P energy: -38.688 tors. eta vs tors. theta energy: -30.871 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: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -460.012635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.012635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.012635 (E_RNA) where: Base-Base interactions energy: -253.061 where: short stacking energy: -119.157 Base-Backbone interact. energy: -0.121 local terms energy: -206.830459 where: bonds (distance) C4'-P energy: -56.292 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -51.746 flat angles P-C4'-P energy: -27.579 tors. eta vs tors. theta energy: -15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -389.618348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.618348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.618348 (E_RNA) where: Base-Base interactions energy: -208.190 where: short stacking energy: -114.024 Base-Backbone interact. energy: -0.901 local terms energy: -180.527483 where: bonds (distance) C4'-P energy: -49.074 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -41.768 flat angles P-C4'-P energy: -28.699 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: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1229.620457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.620457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.620457 (E_RNA) where: Base-Base interactions energy: -873.754 where: short stacking energy: -334.381 Base-Backbone interact. energy: -1.139 local terms energy: -354.727118 where: bonds (distance) C4'-P energy: -66.017 bonds (distance) P-C4' energy: -71.671 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -43.473 tors. eta vs tors. theta energy: -92.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1164.043965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.043965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.043965 (E_RNA) where: Base-Base interactions energy: -814.860 where: short stacking energy: -332.735 Base-Backbone interact. energy: -0.874 local terms energy: -348.309827 where: bonds (distance) C4'-P energy: -60.704 bonds (distance) P-C4' energy: -64.482 flat angles C4'-P-C4' energy: -77.540 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -92.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1073.561516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.561516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.561516 (E_RNA) where: Base-Base interactions energy: -756.291 where: short stacking energy: -298.461 Base-Backbone interact. energy: -0.356 local terms energy: -316.914248 where: bonds (distance) C4'-P energy: -55.057 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -43.319 tors. eta vs tors. theta energy: -86.172 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1061.483551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.483551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.483551 (E_RNA) where: Base-Base interactions energy: -752.510 where: short stacking energy: -300.529 Base-Backbone interact. energy: 0.596 local terms energy: -309.569687 where: bonds (distance) C4'-P energy: -45.112 bonds (distance) P-C4' energy: -66.067 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -88.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1015.208721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.208721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.208721 (E_RNA) where: Base-Base interactions energy: -697.843 where: short stacking energy: -287.086 Base-Backbone interact. energy: -0.700 local terms energy: -316.665512 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -67.424 flat angles C4'-P-C4' energy: -69.468 flat angles P-C4'-P energy: -38.565 tors. eta vs tors. theta energy: -84.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -900.338144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.338144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.338144 (E_RNA) where: Base-Base interactions energy: -621.317 where: short stacking energy: -256.652 Base-Backbone interact. energy: 0.257 local terms energy: -279.278116 where: bonds (distance) C4'-P energy: -46.968 bonds (distance) P-C4' energy: -63.858 flat angles C4'-P-C4' energy: -62.395 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -61.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -776.510311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.510311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.510311 (E_RNA) where: Base-Base interactions energy: -510.864 where: short stacking energy: -231.330 Base-Backbone interact. energy: -0.749 local terms energy: -264.897174 where: bonds (distance) C4'-P energy: -47.640 bonds (distance) P-C4' energy: -58.202 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -59.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -579.859177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.859177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.859177 (E_RNA) where: Base-Base interactions energy: -351.245 where: short stacking energy: -147.853 Base-Backbone interact. energy: 0.852 local terms energy: -229.466877 where: bonds (distance) C4'-P energy: -53.731 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -56.237 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -16.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -393.314277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.314277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.314277 (E_RNA) where: Base-Base interactions energy: -196.850 where: short stacking energy: -111.728 Base-Backbone interact. energy: -1.950 local terms energy: -194.514196 where: bonds (distance) C4'-P energy: -51.845 bonds (distance) P-C4' energy: -53.269 flat angles C4'-P-C4' energy: -50.532 flat angles P-C4'-P energy: -28.416 tors. eta vs tors. theta energy: -10.452 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: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -381.779015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.779015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.779015 (E_RNA) where: Base-Base interactions energy: -195.455 where: short stacking energy: -116.314 Base-Backbone interact. energy: -2.295 local terms energy: -184.029253 where: bonds (distance) C4'-P energy: -53.519 bonds (distance) P-C4' energy: -63.198 flat angles C4'-P-C4' energy: -33.698 flat angles P-C4'-P energy: -27.806 tors. eta vs tors. theta energy: -5.808 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1202.267653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.267653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.267653 (E_RNA) where: Base-Base interactions energy: -865.076 where: short stacking energy: -326.539 Base-Backbone interact. energy: -0.958 local terms energy: -336.233124 where: bonds (distance) C4'-P energy: -63.540 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -90.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1139.101699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.101699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.101699 (E_RNA) where: Base-Base interactions energy: -806.417 where: short stacking energy: -319.089 Base-Backbone interact. energy: -0.735 local terms energy: -331.949787 where: bonds (distance) C4'-P energy: -63.148 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -69.867 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -93.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1095.531325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.531325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.531325 (E_RNA) where: Base-Base interactions energy: -753.638 where: short stacking energy: -317.206 Base-Backbone interact. energy: -1.222 local terms energy: -340.671301 where: bonds (distance) C4'-P energy: -59.529 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -69.240 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -91.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1063.912045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.912045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.912045 (E_RNA) where: Base-Base interactions energy: -742.087 where: short stacking energy: -295.661 Base-Backbone interact. energy: -0.955 local terms energy: -320.869485 where: bonds (distance) C4'-P energy: -57.043 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -92.353 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: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -995.930863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.930863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.930863 (E_RNA) where: Base-Base interactions energy: -703.819 where: short stacking energy: -288.813 Base-Backbone interact. energy: -0.738 local terms energy: -291.374243 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -52.972 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -38.174 tors. eta vs tors. theta energy: -81.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -815.735410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.735410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.735410 (E_RNA) where: Base-Base interactions energy: -521.930 where: short stacking energy: -220.472 Base-Backbone interact. energy: -2.303 local terms energy: -291.502550 where: bonds (distance) C4'-P energy: -58.097 bonds (distance) P-C4' energy: -58.647 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -60.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -882.735457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.735457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.735457 (E_RNA) where: Base-Base interactions energy: -598.631 where: short stacking energy: -232.820 Base-Backbone interact. energy: -1.252 local terms energy: -282.852526 where: bonds (distance) C4'-P energy: -56.672 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -62.615 flat angles P-C4'-P energy: -37.670 tors. eta vs tors. theta energy: -64.574 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: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -604.404483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.404483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.404483 (E_RNA) where: Base-Base interactions energy: -372.673 where: short stacking energy: -162.515 Base-Backbone interact. energy: -1.135 local terms energy: -230.596200 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -52.375 flat angles C4'-P-C4' energy: -67.601 flat angles P-C4'-P energy: -27.921 tors. eta vs tors. theta energy: -23.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -391.752588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.752588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.752588 (E_RNA) where: Base-Base interactions energy: -202.331 where: short stacking energy: -106.284 Base-Backbone interact. energy: 0.655 local terms energy: -190.077162 where: bonds (distance) C4'-P energy: -46.334 bonds (distance) P-C4' energy: -49.488 flat angles C4'-P-C4' energy: -51.512 flat angles P-C4'-P energy: -27.255 tors. eta vs tors. theta energy: -15.487 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: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -361.049719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.049719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.049719 (E_RNA) where: Base-Base interactions energy: -178.630 where: short stacking energy: -95.703 Base-Backbone interact. energy: -0.445 local terms energy: -181.975212 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -62.107 flat angles C4'-P-C4' energy: -31.745 flat angles P-C4'-P energy: -34.462 tors. eta vs tors. theta energy: 0.317 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: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1216.403973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.403973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.403973 (E_RNA) where: Base-Base interactions energy: -883.644 where: short stacking energy: -327.777 Base-Backbone interact. energy: -2.268 local terms energy: -330.491908 where: bonds (distance) C4'-P energy: -59.258 bonds (distance) P-C4' energy: -66.731 flat angles C4'-P-C4' energy: -75.980 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -91.038 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: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1157.767485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.767485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.767485 (E_RNA) where: Base-Base interactions energy: -800.713 where: short stacking energy: -325.373 Base-Backbone interact. energy: -2.757 local terms energy: -354.297134 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -92.300 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: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1095.544468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.544468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.544468 (E_RNA) where: Base-Base interactions energy: -755.258 where: short stacking energy: -305.992 Base-Backbone interact. energy: -1.419 local terms energy: -338.867251 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -70.481 flat angles P-C4'-P energy: -47.528 tors. eta vs tors. theta energy: -93.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1047.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.963587 (E_RNA) where: Base-Base interactions energy: -737.967 where: short stacking energy: -309.393 Base-Backbone interact. energy: 1.058 local terms energy: -311.054668 where: bonds (distance) C4'-P energy: -55.557 bonds (distance) P-C4' energy: -53.310 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -88.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -959.670665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.670665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.670665 (E_RNA) where: Base-Base interactions energy: -662.400 where: short stacking energy: -263.567 Base-Backbone interact. energy: 0.210 local terms energy: -297.481236 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -67.069 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -70.828 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: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -808.373771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.373771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.373771 (E_RNA) where: Base-Base interactions energy: -528.350 where: short stacking energy: -244.397 Base-Backbone interact. energy: 0.193 local terms energy: -280.217149 where: bonds (distance) C4'-P energy: -52.886 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -69.466 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -55.839 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -867.187277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.187277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.187277 (E_RNA) where: Base-Base interactions energy: -599.973 where: short stacking energy: -230.556 Base-Backbone interact. energy: -1.489 local terms energy: -265.725504 where: bonds (distance) C4'-P energy: -52.748 bonds (distance) P-C4' energy: -66.214 flat angles C4'-P-C4' energy: -56.528 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -55.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -656.520881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.520881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.520881 (E_RNA) where: Base-Base interactions energy: -420.839 where: short stacking energy: -186.252 Base-Backbone interact. energy: -0.442 local terms energy: -235.239872 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -49.764 flat angles C4'-P-C4' energy: -44.489 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: -45.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -396.278310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.278310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.278310 (E_RNA) where: Base-Base interactions energy: -206.653 where: short stacking energy: -107.704 Base-Backbone interact. energy: -1.084 local terms energy: -188.541102 where: bonds (distance) C4'-P energy: -49.082 bonds (distance) P-C4' energy: -63.214 flat angles C4'-P-C4' energy: -49.261 flat angles P-C4'-P energy: -28.716 tors. eta vs tors. theta energy: 1.732 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: 10, replica: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -352.085810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.085810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.085810 (E_RNA) where: Base-Base interactions energy: -184.294 where: short stacking energy: -103.419 Base-Backbone interact. energy: -0.766 local terms energy: -167.025347 where: bonds (distance) C4'-P energy: -50.393 bonds (distance) P-C4' energy: -47.048 flat angles C4'-P-C4' energy: -48.868 flat angles P-C4'-P energy: -30.021 tors. eta vs tors. theta energy: 9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1211.108134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.108134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.108134 (E_RNA) where: Base-Base interactions energy: -862.322 where: short stacking energy: -323.346 Base-Backbone interact. energy: 0.316 local terms energy: -349.102706 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -73.424 flat angles P-C4'-P energy: -49.970 tors. eta vs tors. theta energy: -90.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1125.869216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.869216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.869216 (E_RNA) where: Base-Base interactions energy: -779.216 where: short stacking energy: -316.916 Base-Backbone interact. energy: -0.417 local terms energy: -346.236485 where: bonds (distance) C4'-P energy: -57.339 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: -95.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1134.309333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.309333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.309333 (E_RNA) where: Base-Base interactions energy: -792.125 where: short stacking energy: -311.878 Base-Backbone interact. energy: -0.160 local terms energy: -342.024818 where: bonds (distance) C4'-P energy: -71.093 bonds (distance) P-C4' energy: -64.756 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -45.139 tors. eta vs tors. theta energy: -89.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1065.686736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.686736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.686736 (E_RNA) where: Base-Base interactions energy: -737.701 where: short stacking energy: -298.047 Base-Backbone interact. energy: -0.617 local terms energy: -327.368501 where: bonds (distance) C4'-P energy: -60.122 bonds (distance) P-C4' energy: -49.827 flat angles C4'-P-C4' energy: -76.611 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -94.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -957.167984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.167984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.167984 (E_RNA) where: Base-Base interactions energy: -644.286 where: short stacking energy: -279.347 Base-Backbone interact. energy: -4.014 local terms energy: -308.867849 where: bonds (distance) C4'-P energy: -54.515 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -60.875 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -82.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -855.148251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.148251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.148251 (E_RNA) where: Base-Base interactions energy: -589.624 where: short stacking energy: -235.966 Base-Backbone interact. energy: -1.124 local terms energy: -264.400089 where: bonds (distance) C4'-P energy: -55.484 bonds (distance) P-C4' energy: -65.236 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -26.861 tors. eta vs tors. theta energy: -53.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -764.150443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.150443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.150443 (E_RNA) where: Base-Base interactions energy: -504.756 where: short stacking energy: -226.734 Base-Backbone interact. energy: -1.327 local terms energy: -258.066610 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -51.339 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -35.674 tors. eta vs tors. theta energy: -53.855 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: 263 Temperature: 1.250000 Total energy: -644.892992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.892992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.892992 (E_RNA) where: Base-Base interactions energy: -412.968 where: short stacking energy: -176.535 Base-Backbone interact. energy: 3.061 local terms energy: -234.986492 where: bonds (distance) C4'-P energy: -61.663 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -54.794 flat angles P-C4'-P energy: -32.062 tors. eta vs tors. theta energy: -30.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -426.288168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.288168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.288168 (E_RNA) where: Base-Base interactions energy: -214.449 where: short stacking energy: -131.234 Base-Backbone interact. energy: -2.004 local terms energy: -209.834641 where: bonds (distance) C4'-P energy: -49.687 bonds (distance) P-C4' energy: -52.551 flat angles C4'-P-C4' energy: -53.347 flat angles P-C4'-P energy: -41.764 tors. eta vs tors. theta energy: -12.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -315.729096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.729096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.729096 (E_RNA) where: Base-Base interactions energy: -134.875 where: short stacking energy: -97.029 Base-Backbone interact. energy: 0.284 local terms energy: -181.137817 where: bonds (distance) C4'-P energy: -61.538 bonds (distance) P-C4' energy: -55.702 flat angles C4'-P-C4' energy: -34.887 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: 4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1207.710623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.710623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.710623 (E_RNA) where: Base-Base interactions energy: -863.155 where: short stacking energy: -335.539 Base-Backbone interact. energy: -0.978 local terms energy: -343.577324 where: bonds (distance) C4'-P energy: -67.278 bonds (distance) P-C4' energy: -65.015 flat angles C4'-P-C4' energy: -73.452 flat angles P-C4'-P energy: -42.157 tors. eta vs tors. theta energy: -95.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1120.093195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.093195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.093195 (E_RNA) where: Base-Base interactions energy: -779.596 where: short stacking energy: -316.586 Base-Backbone interact. energy: -0.485 local terms energy: -340.012721 where: bonds (distance) C4'-P energy: -54.295 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -76.847 flat angles P-C4'-P energy: -51.820 tors. eta vs tors. theta energy: -94.994 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: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1142.581237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.581237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.581237 (E_RNA) where: Base-Base interactions energy: -802.983 where: short stacking energy: -317.519 Base-Backbone interact. energy: -0.834 local terms energy: -338.764533 where: bonds (distance) C4'-P energy: -63.761 bonds (distance) P-C4' energy: -71.818 flat angles C4'-P-C4' energy: -63.761 flat angles P-C4'-P energy: -45.287 tors. eta vs tors. theta energy: -94.137 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: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1011.050990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.050990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.050990 (E_RNA) where: Base-Base interactions energy: -707.991 where: short stacking energy: -273.577 Base-Backbone interact. energy: 1.476 local terms energy: -304.536222 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -37.231 tors. eta vs tors. theta energy: -79.508 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: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -995.052429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.052429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.052429 (E_RNA) where: Base-Base interactions energy: -662.144 where: short stacking energy: -267.660 Base-Backbone interact. energy: -1.440 local terms energy: -331.468958 where: bonds (distance) C4'-P energy: -47.205 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -81.458 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -93.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -904.231774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.231774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.231774 (E_RNA) where: Base-Base interactions energy: -621.763 where: short stacking energy: -259.764 Base-Backbone interact. energy: -1.695 local terms energy: -280.773403 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -55.535 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -71.030 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: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -767.432664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.432664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.432664 (E_RNA) where: Base-Base interactions energy: -505.656 where: short stacking energy: -229.272 Base-Backbone interact. energy: 1.034 local terms energy: -262.811054 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -46.321 flat angles C4'-P-C4' energy: -57.637 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -57.000 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: 264 Temperature: 1.250000 Total energy: -696.938788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.938788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.938788 (E_RNA) where: Base-Base interactions energy: -434.231 where: short stacking energy: -180.489 Base-Backbone interact. energy: -1.874 local terms energy: -260.833455 where: bonds (distance) C4'-P energy: -58.169 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -62.134 flat angles P-C4'-P energy: -45.035 tors. eta vs tors. theta energy: -41.596 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: 264 Temperature: 1.300000 Total energy: -498.675794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.675794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.675794 (E_RNA) where: Base-Base interactions energy: -294.484 where: short stacking energy: -128.199 Base-Backbone interact. energy: -0.617 local terms energy: -203.574775 where: bonds (distance) C4'-P energy: -60.908 bonds (distance) P-C4' energy: -47.333 flat angles C4'-P-C4' energy: -56.797 flat angles P-C4'-P energy: -37.275 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -352.207079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.207079 (E_RNA) where: Base-Base interactions energy: -151.502 where: short stacking energy: -92.508 Base-Backbone interact. energy: -1.515 local terms energy: -199.190334 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -55.460 flat angles C4'-P-C4' energy: -41.101 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -10.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1203.492010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.492010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.492010 (E_RNA) where: Base-Base interactions energy: -850.582 where: short stacking energy: -321.709 Base-Backbone interact. energy: -0.786 local terms energy: -352.124563 where: bonds (distance) C4'-P energy: -70.725 bonds (distance) P-C4' energy: -71.029 flat angles C4'-P-C4' energy: -76.861 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -84.197 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: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1124.863723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.863723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.863723 (E_RNA) where: Base-Base interactions energy: -771.030 where: short stacking energy: -306.231 Base-Backbone interact. energy: 0.825 local terms energy: -354.659284 where: bonds (distance) C4'-P energy: -67.544 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -73.398 flat angles P-C4'-P energy: -50.076 tors. eta vs tors. theta energy: -96.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1138.678103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.678103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.678103 (E_RNA) where: Base-Base interactions energy: -795.034 where: short stacking energy: -315.859 Base-Backbone interact. energy: 0.485 local terms energy: -344.128449 where: bonds (distance) C4'-P energy: -62.291 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -78.649 flat angles P-C4'-P energy: -47.836 tors. eta vs tors. theta energy: -93.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1046.720299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.720299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.720299 (E_RNA) where: Base-Base interactions energy: -723.513 where: short stacking energy: -287.406 Base-Backbone interact. energy: -0.538 local terms energy: -322.668765 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -63.058 flat angles C4'-P-C4' energy: -66.709 flat angles P-C4'-P energy: -37.804 tors. eta vs tors. theta energy: -91.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -936.959351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.959351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.959351 (E_RNA) where: Base-Base interactions energy: -640.739 where: short stacking energy: -265.087 Base-Backbone interact. energy: 2.649 local terms energy: -298.869747 where: bonds (distance) C4'-P energy: -46.772 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -70.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -931.169689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.169689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.169689 (E_RNA) where: Base-Base interactions energy: -662.640 where: short stacking energy: -257.400 Base-Backbone interact. energy: -0.578 local terms energy: -267.951571 where: bonds (distance) C4'-P energy: -51.490 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -49.816 flat angles P-C4'-P energy: -41.551 tors. eta vs tors. theta energy: -66.024 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -769.634189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.634189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.634189 (E_RNA) where: Base-Base interactions energy: -493.712 where: short stacking energy: -223.184 Base-Backbone interact. energy: -1.406 local terms energy: -274.516874 where: bonds (distance) C4'-P energy: -54.489 bonds (distance) P-C4' energy: -57.573 flat angles C4'-P-C4' energy: -58.829 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -62.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -660.565589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.565589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.565589 (E_RNA) where: Base-Base interactions energy: -431.891 where: short stacking energy: -183.402 Base-Backbone interact. energy: 1.025 local terms energy: -229.699868 where: bonds (distance) C4'-P energy: -45.660 bonds (distance) P-C4' energy: -50.877 flat angles C4'-P-C4' energy: -56.043 flat angles P-C4'-P energy: -36.460 tors. eta vs tors. theta energy: -40.660 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: 2 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -494.113255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.113255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.113255 (E_RNA) where: Base-Base interactions energy: -283.203 where: short stacking energy: -137.951 Base-Backbone interact. energy: -0.666 local terms energy: -210.244125 where: bonds (distance) C4'-P energy: -59.652 bonds (distance) P-C4' energy: -61.037 flat angles C4'-P-C4' energy: -52.281 flat angles P-C4'-P energy: -18.486 tors. eta vs tors. theta energy: -18.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -279.495442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.495442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.495442 (E_RNA) where: Base-Base interactions energy: -99.462 where: short stacking energy: -95.215 Base-Backbone interact. energy: 5.010 local terms energy: -185.043422 where: bonds (distance) C4'-P energy: -50.434 bonds (distance) P-C4' energy: -52.794 flat angles C4'-P-C4' energy: -50.792 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: 2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1215.287992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.287992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.287992 (E_RNA) where: Base-Base interactions energy: -872.160 where: short stacking energy: -332.355 Base-Backbone interact. energy: -1.717 local terms energy: -341.410655 where: bonds (distance) C4'-P energy: -54.972 bonds (distance) P-C4' energy: -72.207 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -91.762 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: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1125.876041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.876041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.876041 (E_RNA) where: Base-Base interactions energy: -780.279 where: short stacking energy: -320.446 Base-Backbone interact. energy: 0.221 local terms energy: -345.818131 where: bonds (distance) C4'-P energy: -69.201 bonds (distance) P-C4' energy: -61.744 flat angles C4'-P-C4' energy: -76.646 flat angles P-C4'-P energy: -45.413 tors. eta vs tors. theta energy: -92.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1158.203734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.203734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.203734 (E_RNA) where: Base-Base interactions energy: -813.794 where: short stacking energy: -338.678 Base-Backbone interact. energy: 2.691 local terms energy: -347.101643 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -100.509 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: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1044.352619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.352619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.352619 (E_RNA) where: Base-Base interactions energy: -736.343 where: short stacking energy: -284.957 Base-Backbone interact. energy: -2.492 local terms energy: -305.517010 where: bonds (distance) C4'-P energy: -50.970 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -57.796 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: -85.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -954.769456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.769456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.769456 (E_RNA) where: Base-Base interactions energy: -658.560 where: short stacking energy: -264.794 Base-Backbone interact. energy: -2.683 local terms energy: -293.526451 where: bonds (distance) C4'-P energy: -46.505 bonds (distance) P-C4' energy: -66.896 flat angles C4'-P-C4' energy: -62.816 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -67.393 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: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -915.806518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.806518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.806518 (E_RNA) where: Base-Base interactions energy: -617.130 where: short stacking energy: -242.915 Base-Backbone interact. energy: -0.616 local terms energy: -298.060270 where: bonds (distance) C4'-P energy: -61.254 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -60.859 flat angles P-C4'-P energy: -43.608 tors. eta vs tors. theta energy: -72.221 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: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -760.528268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.528268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.528268 (E_RNA) where: Base-Base interactions energy: -498.121 where: short stacking energy: -214.565 Base-Backbone interact. energy: -0.916 local terms energy: -261.490476 where: bonds (distance) C4'-P energy: -45.806 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -63.127 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: -60.270 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -640.249040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.249040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.249040 (E_RNA) where: Base-Base interactions energy: -406.175 where: short stacking energy: -176.898 Base-Backbone interact. energy: -1.232 local terms energy: -232.842136 where: bonds (distance) C4'-P energy: -44.040 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -54.172 flat angles P-C4'-P energy: -35.058 tors. eta vs tors. theta energy: -33.043 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: 266 Temperature: 1.300000 Total energy: -570.989148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.989148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.989148 (E_RNA) where: Base-Base interactions energy: -352.064 where: short stacking energy: -158.804 Base-Backbone interact. energy: -1.990 local terms energy: -216.935308 where: bonds (distance) C4'-P energy: -58.648 bonds (distance) P-C4' energy: -45.947 flat angles C4'-P-C4' energy: -43.016 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: -35.846 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: 3 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -271.089244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.089244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.089244 (E_RNA) where: Base-Base interactions energy: -70.968 where: short stacking energy: -66.675 Base-Backbone interact. energy: -2.799 local terms energy: -197.322237 where: bonds (distance) C4'-P energy: -54.801 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -46.013 flat angles P-C4'-P energy: -37.576 tors. eta vs tors. theta energy: 5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1230.130358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.130358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.130358 (E_RNA) where: Base-Base interactions energy: -870.498 where: short stacking energy: -337.749 Base-Backbone interact. energy: -2.318 local terms energy: -357.314135 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -72.331 flat angles C4'-P-C4' energy: -71.513 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -94.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1167.979203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.979203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.979203 (E_RNA) where: Base-Base interactions energy: -820.518 where: short stacking energy: -325.448 Base-Backbone interact. energy: -0.495 local terms energy: -346.966286 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -60.678 flat angles C4'-P-C4' energy: -79.732 flat angles P-C4'-P energy: -52.902 tors. eta vs tors. theta energy: -92.808 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: 267 Temperature: 1.000000 Total energy: -1089.639196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.639196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.639196 (E_RNA) where: Base-Base interactions energy: -742.299 where: short stacking energy: -304.330 Base-Backbone interact. energy: -1.031 local terms energy: -346.309415 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -69.028 flat angles C4'-P-C4' energy: -76.520 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -97.842 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: 5 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1071.661374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.661374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.661374 (E_RNA) where: Base-Base interactions energy: -737.800 where: short stacking energy: -293.257 Base-Backbone interact. energy: -2.694 local terms energy: -331.167181 where: bonds (distance) C4'-P energy: -62.501 bonds (distance) P-C4' energy: -64.159 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -40.380 tors. eta vs tors. theta energy: -91.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -984.998796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.998796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.998796 (E_RNA) where: Base-Base interactions energy: -690.191 where: short stacking energy: -273.472 Base-Backbone interact. energy: -0.782 local terms energy: -294.026196 where: bonds (distance) C4'-P energy: -64.954 bonds (distance) P-C4' energy: -47.442 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -75.147 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: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -875.671819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.671819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.671819 (E_RNA) where: Base-Base interactions energy: -595.571 where: short stacking energy: -246.978 Base-Backbone interact. energy: -0.578 local terms energy: -279.522294 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -69.623 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -64.162 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: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -788.824923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.824923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.824923 (E_RNA) where: Base-Base interactions energy: -497.561 where: short stacking energy: -235.456 Base-Backbone interact. energy: -1.819 local terms energy: -289.444857 where: bonds (distance) C4'-P energy: -62.863 bonds (distance) P-C4' energy: -62.383 flat angles C4'-P-C4' energy: -68.930 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -53.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -648.166693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.166693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.166693 (E_RNA) where: Base-Base interactions energy: -403.065 where: short stacking energy: -181.570 Base-Backbone interact. energy: 3.496 local terms energy: -248.597771 where: bonds (distance) C4'-P energy: -74.339 bonds (distance) P-C4' energy: -47.343 flat angles C4'-P-C4' energy: -52.870 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -33.477 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: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -508.919992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.919992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.919992 (E_RNA) where: Base-Base interactions energy: -278.949 where: short stacking energy: -136.551 Base-Backbone interact. energy: -0.345 local terms energy: -229.625414 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -54.962 flat angles P-C4'-P energy: -31.014 tors. eta vs tors. theta energy: -25.962 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: 10, replica: 3 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -263.863140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.863140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.863140 (E_RNA) where: Base-Base interactions energy: -88.965 where: short stacking energy: -73.554 Base-Backbone interact. energy: -0.622 local terms energy: -174.276401 where: bonds (distance) C4'-P energy: -56.131 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -45.805 flat angles P-C4'-P energy: -27.895 tors. eta vs tors. theta energy: 13.262 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: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1216.351433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.351433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.351433 (E_RNA) where: Base-Base interactions energy: -862.612 where: short stacking energy: -338.960 Base-Backbone interact. energy: 0.429 local terms energy: -354.168426 where: bonds (distance) C4'-P energy: -70.062 bonds (distance) P-C4' energy: -63.168 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -95.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1150.544871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.544871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.544871 (E_RNA) where: Base-Base interactions energy: -801.052 where: short stacking energy: -314.172 Base-Backbone interact. energy: -0.377 local terms energy: -349.116345 where: bonds (distance) C4'-P energy: -69.823 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -52.464 tors. eta vs tors. theta energy: -86.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1109.509297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.509297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.509297 (E_RNA) where: Base-Base interactions energy: -753.560 where: short stacking energy: -295.177 Base-Backbone interact. energy: -1.762 local terms energy: -354.188143 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -70.495 flat angles C4'-P-C4' energy: -66.764 flat angles P-C4'-P energy: -48.761 tors. eta vs tors. theta energy: -97.200 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: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1038.077651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.077651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.077651 (E_RNA) where: Base-Base interactions energy: -723.849 where: short stacking energy: -287.189 Base-Backbone interact. energy: -2.226 local terms energy: -312.002976 where: bonds (distance) C4'-P energy: -44.232 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -70.180 flat angles P-C4'-P energy: -48.674 tors. eta vs tors. theta energy: -89.777 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: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1035.634333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.634333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.634333 (E_RNA) where: Base-Base interactions energy: -721.150 where: short stacking energy: -274.525 Base-Backbone interact. energy: 1.138 local terms energy: -315.622457 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -62.932 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -83.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -868.698417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.698417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.698417 (E_RNA) where: Base-Base interactions energy: -577.736 where: short stacking energy: -227.779 Base-Backbone interact. energy: -2.187 local terms energy: -288.775065 where: bonds (distance) C4'-P energy: -66.826 bonds (distance) P-C4' energy: -62.732 flat angles C4'-P-C4' energy: -58.797 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -51.714 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: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -768.105409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.105409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.105409 (E_RNA) where: Base-Base interactions energy: -471.996 where: short stacking energy: -212.635 Base-Backbone interact. energy: -0.948 local terms energy: -295.161385 where: bonds (distance) C4'-P energy: -68.908 bonds (distance) P-C4' energy: -70.031 flat angles C4'-P-C4' energy: -51.564 flat angles P-C4'-P energy: -42.022 tors. eta vs tors. theta energy: -62.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -633.642786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.642786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.642786 (E_RNA) where: Base-Base interactions energy: -405.410 where: short stacking energy: -169.775 Base-Backbone interact. energy: 0.513 local terms energy: -228.746183 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -50.436 flat angles P-C4'-P energy: -33.804 tors. eta vs tors. theta energy: -32.780 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: 9, replica: 2 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -459.062619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.062619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.062619 (E_RNA) where: Base-Base interactions energy: -282.780 where: short stacking energy: -134.179 Base-Backbone interact. energy: -0.904 local terms energy: -175.379274 where: bonds (distance) C4'-P energy: -50.259 bonds (distance) P-C4' energy: -60.132 flat angles C4'-P-C4' energy: -36.459 flat angles P-C4'-P energy: -20.998 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -272.416191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.416191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.416191 (E_RNA) where: Base-Base interactions energy: -99.571 where: short stacking energy: -82.701 Base-Backbone interact. energy: 2.634 local terms energy: -175.478982 where: bonds (distance) C4'-P energy: -44.470 bonds (distance) P-C4' energy: -71.631 flat angles C4'-P-C4' energy: -31.999 flat angles P-C4'-P energy: -31.746 tors. eta vs tors. theta energy: 4.367 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: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1213.596286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.596286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.596286 (E_RNA) where: Base-Base interactions energy: -865.346 where: short stacking energy: -330.013 Base-Backbone interact. energy: -2.558 local terms energy: -345.692288 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -65.344 flat angles C4'-P-C4' energy: -68.503 flat angles P-C4'-P energy: -45.064 tors. eta vs tors. theta energy: -93.339 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: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1151.051109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.051109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.051109 (E_RNA) where: Base-Base interactions energy: -811.784 where: short stacking energy: -326.163 Base-Backbone interact. energy: 1.207 local terms energy: -340.474014 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -70.280 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1076.595283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.595283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.595283 (E_RNA) where: Base-Base interactions energy: -756.780 where: short stacking energy: -297.163 Base-Backbone interact. energy: -3.385 local terms energy: -316.430717 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -77.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1086.182198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.182198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.182198 (E_RNA) where: Base-Base interactions energy: -753.306 where: short stacking energy: -304.861 Base-Backbone interact. energy: -0.176 local terms energy: -332.699571 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -67.292 flat angles P-C4'-P energy: -48.542 tors. eta vs tors. theta energy: -98.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1000.438554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.438554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.438554 (E_RNA) where: Base-Base interactions energy: -704.875 where: short stacking energy: -284.983 Base-Backbone interact. energy: 1.353 local terms energy: -296.915987 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -60.370 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -80.030 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: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -856.159606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.159606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.159606 (E_RNA) where: Base-Base interactions energy: -569.538 where: short stacking energy: -240.136 Base-Backbone interact. energy: -1.439 local terms energy: -285.182347 where: bonds (distance) C4'-P energy: -56.303 bonds (distance) P-C4' energy: -59.556 flat angles C4'-P-C4' energy: -64.098 flat angles P-C4'-P energy: -37.990 tors. eta vs tors. theta energy: -67.235 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: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -769.974972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.974972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.974972 (E_RNA) where: Base-Base interactions energy: -498.151 where: short stacking energy: -225.862 Base-Backbone interact. energy: 2.583 local terms energy: -274.406782 where: bonds (distance) C4'-P energy: -55.453 bonds (distance) P-C4' energy: -62.627 flat angles C4'-P-C4' energy: -50.930 flat angles P-C4'-P energy: -46.665 tors. eta vs tors. theta energy: -58.731 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: 269 Temperature: 1.250000 Total energy: -684.386256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.386256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.386256 (E_RNA) where: Base-Base interactions energy: -432.154 where: short stacking energy: -186.951 Base-Backbone interact. energy: -2.996 local terms energy: -249.235822 where: bonds (distance) C4'-P energy: -51.298 bonds (distance) P-C4' energy: -61.688 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -38.739 tors. eta vs tors. theta energy: -27.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -457.705111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.705111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.705111 (E_RNA) where: Base-Base interactions energy: -262.767 where: short stacking energy: -145.215 Base-Backbone interact. energy: -0.778 local terms energy: -194.159556 where: bonds (distance) C4'-P energy: -47.503 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -41.822 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -266.013367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.013367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.013367 (E_RNA) where: Base-Base interactions energy: -91.412 where: short stacking energy: -71.539 Base-Backbone interact. energy: -1.309 local terms energy: -173.292869 where: bonds (distance) C4'-P energy: -50.743 bonds (distance) P-C4' energy: -56.216 flat angles C4'-P-C4' energy: -43.063 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: 9.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1187.355618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.355618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.355618 (E_RNA) where: Base-Base interactions energy: -825.261 where: short stacking energy: -326.243 Base-Backbone interact. energy: -2.000 local terms energy: -360.093938 where: bonds (distance) C4'-P energy: -68.221 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -103.374 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: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1192.576339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.576339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.576339 (E_RNA) where: Base-Base interactions energy: -855.888 where: short stacking energy: -344.492 Base-Backbone interact. energy: -1.084 local terms energy: -335.604480 where: bonds (distance) C4'-P energy: -59.648 bonds (distance) P-C4' energy: -58.939 flat angles C4'-P-C4' energy: -78.967 flat angles P-C4'-P energy: -40.742 tors. eta vs tors. theta energy: -97.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1097.192006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.192006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.192006 (E_RNA) where: Base-Base interactions energy: -759.523 where: short stacking energy: -294.342 Base-Backbone interact. energy: -0.034 local terms energy: -337.634339 where: bonds (distance) C4'-P energy: -58.044 bonds (distance) P-C4' energy: -68.723 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -46.199 tors. eta vs tors. theta energy: -96.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1032.671765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.671765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.671765 (E_RNA) where: Base-Base interactions energy: -721.749 where: short stacking energy: -268.645 Base-Backbone interact. energy: -1.424 local terms energy: -309.498144 where: bonds (distance) C4'-P energy: -57.474 bonds (distance) P-C4' energy: -61.585 flat angles C4'-P-C4' energy: -66.061 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -80.709 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: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1007.400747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.400747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.400747 (E_RNA) where: Base-Base interactions energy: -711.154 where: short stacking energy: -268.724 Base-Backbone interact. energy: -0.080 local terms energy: -296.167088 where: bonds (distance) C4'-P energy: -51.617 bonds (distance) P-C4' energy: -58.307 flat angles C4'-P-C4' energy: -51.062 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: -88.409 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: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -864.700467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.700467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.700467 (E_RNA) where: Base-Base interactions energy: -582.768 where: short stacking energy: -244.104 Base-Backbone interact. energy: 0.244 local terms energy: -282.176977 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -53.845 flat angles C4'-P-C4' energy: -68.765 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -59.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -780.222185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.222185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.222185 (E_RNA) where: Base-Base interactions energy: -527.629 where: short stacking energy: -226.267 Base-Backbone interact. energy: -0.658 local terms energy: -251.935442 where: bonds (distance) C4'-P energy: -57.751 bonds (distance) P-C4' energy: -56.507 flat angles C4'-P-C4' energy: -51.502 flat angles P-C4'-P energy: -30.704 tors. eta vs tors. theta energy: -55.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -653.748685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.748685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.748685 (E_RNA) where: Base-Base interactions energy: -428.033 where: short stacking energy: -199.057 Base-Backbone interact. energy: 0.816 local terms energy: -226.531818 where: bonds (distance) C4'-P energy: -43.286 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -50.254 flat angles P-C4'-P energy: -30.779 tors. eta vs tors. theta energy: -42.137 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: 270 Temperature: 1.300000 Total energy: -455.703654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.703654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.703654 (E_RNA) where: Base-Base interactions energy: -253.125 where: short stacking energy: -129.863 Base-Backbone interact. energy: 5.844 local terms energy: -208.422181 where: bonds (distance) C4'-P energy: -51.925 bonds (distance) P-C4' energy: -58.271 flat angles C4'-P-C4' energy: -56.240 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -6.166 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: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -269.432344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.432344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.432344 (E_RNA) where: Base-Base interactions energy: -92.325 where: short stacking energy: -61.591 Base-Backbone interact. energy: 0.648 local terms energy: -177.755612 where: bonds (distance) C4'-P energy: -67.125 bonds (distance) P-C4' energy: -60.233 flat angles C4'-P-C4' energy: -26.844 flat angles P-C4'-P energy: -31.973 tors. eta vs tors. theta energy: 8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1176.135424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.135424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.135424 (E_RNA) where: Base-Base interactions energy: -821.757 where: short stacking energy: -324.674 Base-Backbone interact. energy: -0.816 local terms energy: -353.563160 where: bonds (distance) C4'-P energy: -61.781 bonds (distance) P-C4' energy: -64.862 flat angles C4'-P-C4' energy: -70.944 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -103.220 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: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1215.617489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.617489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.617489 (E_RNA) where: Base-Base interactions energy: -863.346 where: short stacking energy: -334.679 Base-Backbone interact. energy: 1.514 local terms energy: -353.785075 where: bonds (distance) C4'-P energy: -68.273 bonds (distance) P-C4' energy: -67.516 flat angles C4'-P-C4' energy: -65.912 flat angles P-C4'-P energy: -54.638 tors. eta vs tors. theta energy: -97.445 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: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1119.653748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.653748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.653748 (E_RNA) where: Base-Base interactions energy: -780.904 where: short stacking energy: -321.648 Base-Backbone interact. energy: -1.258 local terms energy: -337.491361 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -69.865 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -96.125 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: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1032.356246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.356246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.356246 (E_RNA) where: Base-Base interactions energy: -700.937 where: short stacking energy: -286.823 Base-Backbone interact. energy: 0.699 local terms energy: -332.118601 where: bonds (distance) C4'-P energy: -71.029 bonds (distance) P-C4' energy: -63.940 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -46.790 tors. eta vs tors. theta energy: -81.508 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: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -998.414634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.414634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.414634 (E_RNA) where: Base-Base interactions energy: -683.019 where: short stacking energy: -280.766 Base-Backbone interact. energy: -1.504 local terms energy: -313.891571 where: bonds (distance) C4'-P energy: -63.129 bonds (distance) P-C4' energy: -60.907 flat angles C4'-P-C4' energy: -63.477 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: -81.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -862.850429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.850429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.850429 (E_RNA) where: Base-Base interactions energy: -597.266 where: short stacking energy: -252.706 Base-Backbone interact. energy: -0.291 local terms energy: -265.293251 where: bonds (distance) C4'-P energy: -57.587 bonds (distance) P-C4' energy: -54.153 flat angles C4'-P-C4' energy: -60.894 flat angles P-C4'-P energy: -33.067 tors. eta vs tors. theta energy: -59.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -780.893401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.893401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.893401 (E_RNA) where: Base-Base interactions energy: -517.270 where: short stacking energy: -229.345 Base-Backbone interact. energy: -0.302 local terms energy: -263.320660 where: bonds (distance) C4'-P energy: -49.452 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -56.328 flat angles P-C4'-P energy: -33.911 tors. eta vs tors. theta energy: -55.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -622.260239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.260239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.260239 (E_RNA) where: Base-Base interactions energy: -387.935 where: short stacking energy: -169.241 Base-Backbone interact. energy: 2.032 local terms energy: -236.357312 where: bonds (distance) C4'-P energy: -60.367 bonds (distance) P-C4' energy: -49.806 flat angles C4'-P-C4' energy: -59.257 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -30.839 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: 271 Temperature: 1.300000 Total energy: -426.823195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.823195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.823195 (E_RNA) where: Base-Base interactions energy: -232.600 where: short stacking energy: -112.477 Base-Backbone interact. energy: -2.503 local terms energy: -191.720117 where: bonds (distance) C4'-P energy: -44.614 bonds (distance) P-C4' energy: -53.968 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -0.950 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: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -266.049892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.049892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.049892 (E_RNA) where: Base-Base interactions energy: -81.127 where: short stacking energy: -67.411 Base-Backbone interact. energy: 2.276 local terms energy: -187.199206 where: bonds (distance) C4'-P energy: -48.505 bonds (distance) P-C4' energy: -58.245 flat angles C4'-P-C4' energy: -60.498 flat angles P-C4'-P energy: -27.233 tors. eta vs tors. theta energy: 7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1218.933677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.933677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.933677 (E_RNA) where: Base-Base interactions energy: -867.416 where: short stacking energy: -353.118 Base-Backbone interact. energy: -1.008 local terms energy: -350.509951 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -76.861 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -93.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1179.537826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.537826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.537826 (E_RNA) where: Base-Base interactions energy: -833.548 where: short stacking energy: -329.124 Base-Backbone interact. energy: 0.887 local terms energy: -346.877194 where: bonds (distance) C4'-P energy: -67.850 bonds (distance) P-C4' energy: -57.902 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -102.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1120.044608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.044608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.044608 (E_RNA) where: Base-Base interactions energy: -782.988 where: short stacking energy: -307.999 Base-Backbone interact. energy: -1.176 local terms energy: -335.880852 where: bonds (distance) C4'-P energy: -69.200 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -45.089 tors. eta vs tors. theta energy: -87.806 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: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1055.965776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.965776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.965776 (E_RNA) where: Base-Base interactions energy: -749.939 where: short stacking energy: -295.349 Base-Backbone interact. energy: -1.223 local terms energy: -304.804281 where: bonds (distance) C4'-P energy: -54.097 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -62.194 flat angles P-C4'-P energy: -36.228 tors. eta vs tors. theta energy: -91.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1013.491441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.491441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.491441 (E_RNA) where: Base-Base interactions energy: -700.791 where: short stacking energy: -284.234 Base-Backbone interact. energy: 1.556 local terms energy: -314.256561 where: bonds (distance) C4'-P energy: -55.385 bonds (distance) P-C4' energy: -59.275 flat angles C4'-P-C4' energy: -66.868 flat angles P-C4'-P energy: -49.057 tors. eta vs tors. theta energy: -83.671 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: 272 Temperature: 1.150000 Total energy: -851.936526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.936526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.936526 (E_RNA) where: Base-Base interactions energy: -575.834 where: short stacking energy: -230.552 Base-Backbone interact. energy: 0.099 local terms energy: -276.201795 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -62.347 flat angles C4'-P-C4' energy: -55.670 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -63.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -802.734915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.734915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.734915 (E_RNA) where: Base-Base interactions energy: -513.932 where: short stacking energy: -236.460 Base-Backbone interact. energy: 1.377 local terms energy: -290.180041 where: bonds (distance) C4'-P energy: -60.948 bonds (distance) P-C4' energy: -47.071 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -71.309 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: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -567.590979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.590979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.590979 (E_RNA) where: Base-Base interactions energy: -324.801 where: short stacking energy: -153.535 Base-Backbone interact. energy: -0.473 local terms energy: -242.317536 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -65.806 flat angles C4'-P-C4' energy: -62.883 flat angles P-C4'-P energy: -31.074 tors. eta vs tors. theta energy: -30.936 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: 272 Temperature: 1.300000 Total energy: -411.993839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.993839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.993839 (E_RNA) where: Base-Base interactions energy: -212.369 where: short stacking energy: -109.737 Base-Backbone interact. energy: -0.135 local terms energy: -199.490129 where: bonds (distance) C4'-P energy: -51.652 bonds (distance) P-C4' energy: -53.757 flat angles C4'-P-C4' energy: -51.059 flat angles P-C4'-P energy: -34.029 tors. eta vs tors. theta energy: -8.993 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: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -270.434557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.434557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.434557 (E_RNA) where: Base-Base interactions energy: -73.164 where: short stacking energy: -58.772 Base-Backbone interact. energy: 0.356 local terms energy: -197.626866 where: bonds (distance) C4'-P energy: -45.825 bonds (distance) P-C4' energy: -66.057 flat angles C4'-P-C4' energy: -53.055 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: 3.004 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: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1222.639016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.639016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.639016 (E_RNA) where: Base-Base interactions energy: -872.335 where: short stacking energy: -330.253 Base-Backbone interact. energy: 0.507 local terms energy: -350.811012 where: bonds (distance) C4'-P energy: -70.174 bonds (distance) P-C4' energy: -65.067 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -46.433 tors. eta vs tors. theta energy: -97.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1158.902400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.902400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.902400 (E_RNA) where: Base-Base interactions energy: -808.125 where: short stacking energy: -326.679 Base-Backbone interact. energy: -2.328 local terms energy: -348.450230 where: bonds (distance) C4'-P energy: -67.004 bonds (distance) P-C4' energy: -68.616 flat angles C4'-P-C4' energy: -69.337 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -89.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1100.845244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.845244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.845244 (E_RNA) where: Base-Base interactions energy: -779.681 where: short stacking energy: -307.015 Base-Backbone interact. energy: -0.928 local terms energy: -320.236902 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -59.594 flat angles P-C4'-P energy: -43.379 tors. eta vs tors. theta energy: -94.294 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: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1057.884240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.884240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.884240 (E_RNA) where: Base-Base interactions energy: -748.676 where: short stacking energy: -300.442 Base-Backbone interact. energy: -0.001 local terms energy: -309.206983 where: bonds (distance) C4'-P energy: -53.975 bonds (distance) P-C4' energy: -64.289 flat angles C4'-P-C4' energy: -58.022 flat angles P-C4'-P energy: -46.721 tors. eta vs tors. theta energy: -86.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1001.009968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.009968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.009968 (E_RNA) where: Base-Base interactions energy: -703.889 where: short stacking energy: -273.926 Base-Backbone interact. energy: 0.794 local terms energy: -297.914356 where: bonds (distance) C4'-P energy: -49.356 bonds (distance) P-C4' energy: -65.989 flat angles C4'-P-C4' energy: -57.954 flat angles P-C4'-P energy: -49.166 tors. eta vs tors. theta energy: -75.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -902.857148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.857148 (E_RNA) where: Base-Base interactions energy: -620.794 where: short stacking energy: -261.021 Base-Backbone interact. energy: -2.186 local terms energy: -279.877018 where: bonds (distance) C4'-P energy: -58.619 bonds (distance) P-C4' energy: -44.094 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -43.641 tors. eta vs tors. theta energy: -66.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -785.926131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.926131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.926131 (E_RNA) where: Base-Base interactions energy: -514.785 where: short stacking energy: -210.361 Base-Backbone interact. energy: -1.116 local terms energy: -270.025263 where: bonds (distance) C4'-P energy: -62.281 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -58.072 flat angles P-C4'-P energy: -32.830 tors. eta vs tors. theta energy: -51.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -594.103844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.103844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.103844 (E_RNA) where: Base-Base interactions energy: -348.742 where: short stacking energy: -168.999 Base-Backbone interact. energy: -1.386 local terms energy: -243.975371 where: bonds (distance) C4'-P energy: -45.702 bonds (distance) P-C4' energy: -54.108 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -35.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -395.272384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.272384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.272384 (E_RNA) where: Base-Base interactions energy: -202.943 where: short stacking energy: -115.806 Base-Backbone interact. energy: 0.716 local terms energy: -193.045471 where: bonds (distance) C4'-P energy: -49.937 bonds (distance) P-C4' energy: -65.887 flat angles C4'-P-C4' energy: -48.938 flat angles P-C4'-P energy: -25.073 tors. eta vs tors. theta energy: -3.210 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: 10, replica: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -279.825313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.825313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.825313 (E_RNA) where: Base-Base interactions energy: -101.060 where: short stacking energy: -74.617 Base-Backbone interact. energy: -0.799 local terms energy: -177.965733 where: bonds (distance) C4'-P energy: -47.655 bonds (distance) P-C4' energy: -59.643 flat angles C4'-P-C4' energy: -44.632 flat angles P-C4'-P energy: -37.925 tors. eta vs tors. theta energy: 11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1208.302459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.302459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.302459 (E_RNA) where: Base-Base interactions energy: -848.951 where: short stacking energy: -346.965 Base-Backbone interact. energy: -2.799 local terms energy: -356.552179 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -73.643 flat angles C4'-P-C4' energy: -76.654 flat angles P-C4'-P energy: -42.166 tors. eta vs tors. theta energy: -99.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1147.932899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.932899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.932899 (E_RNA) where: Base-Base interactions energy: -788.694 where: short stacking energy: -300.910 Base-Backbone interact. energy: -2.123 local terms energy: -357.116269 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: -89.491 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: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1100.109191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.109191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.109191 (E_RNA) where: Base-Base interactions energy: -780.467 where: short stacking energy: -318.573 Base-Backbone interact. energy: -0.873 local terms energy: -318.768962 where: bonds (distance) C4'-P energy: -57.387 bonds (distance) P-C4' energy: -55.320 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -92.352 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: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1063.461771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.461771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.461771 (E_RNA) where: Base-Base interactions energy: -733.404 where: short stacking energy: -294.809 Base-Backbone interact. energy: -0.537 local terms energy: -329.520748 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -60.674 flat angles C4'-P-C4' energy: -64.943 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -92.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1022.414000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.414000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.414000 (E_RNA) where: Base-Base interactions energy: -705.229 where: short stacking energy: -273.248 Base-Backbone interact. energy: -0.824 local terms energy: -316.360196 where: bonds (distance) C4'-P energy: -62.089 bonds (distance) P-C4' energy: -62.631 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -43.390 tors. eta vs tors. theta energy: -77.787 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: 6, replica: 7 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -896.954639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.954639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.954639 (E_RNA) where: Base-Base interactions energy: -594.157 where: short stacking energy: -250.037 Base-Backbone interact. energy: -2.506 local terms energy: -300.292117 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -67.814 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -46.291 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: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -782.528084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.528084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.528084 (E_RNA) where: Base-Base interactions energy: -499.449 where: short stacking energy: -213.728 Base-Backbone interact. energy: -1.293 local terms energy: -281.786667 where: bonds (distance) C4'-P energy: -50.657 bonds (distance) P-C4' energy: -71.928 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -33.429 tors. eta vs tors. theta energy: -64.464 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: 274 Temperature: 1.250000 Total energy: -603.225799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.225799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.225799 (E_RNA) where: Base-Base interactions energy: -364.782 where: short stacking energy: -168.410 Base-Backbone interact. energy: -0.722 local terms energy: -237.722066 where: bonds (distance) C4'-P energy: -51.051 bonds (distance) P-C4' energy: -51.690 flat angles C4'-P-C4' energy: -58.302 flat angles P-C4'-P energy: -32.845 tors. eta vs tors. theta energy: -43.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -404.803622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.803622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.803622 (E_RNA) where: Base-Base interactions energy: -191.201 where: short stacking energy: -106.270 Base-Backbone interact. energy: -0.640 local terms energy: -212.962460 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -56.368 flat angles C4'-P-C4' energy: -52.214 flat angles P-C4'-P energy: -32.130 tors. eta vs tors. theta energy: -4.601 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: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -278.313201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.313201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.313201 (E_RNA) where: Base-Base interactions energy: -98.202 where: short stacking energy: -63.406 Base-Backbone interact. energy: 1.981 local terms energy: -182.092581 where: bonds (distance) C4'-P energy: -60.699 bonds (distance) P-C4' energy: -56.130 flat angles C4'-P-C4' energy: -49.515 flat angles P-C4'-P energy: -32.055 tors. eta vs tors. theta energy: 16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1222.524439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.524439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.524439 (E_RNA) where: Base-Base interactions energy: -863.424 where: short stacking energy: -345.790 Base-Backbone interact. energy: -1.636 local terms energy: -357.465313 where: bonds (distance) C4'-P energy: -59.262 bonds (distance) P-C4' energy: -72.518 flat angles C4'-P-C4' energy: -73.857 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -100.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1155.124236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.124236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.124236 (E_RNA) where: Base-Base interactions energy: -810.608 where: short stacking energy: -314.471 Base-Backbone interact. energy: -1.177 local terms energy: -343.339547 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -60.597 flat angles C4'-P-C4' energy: -73.375 flat angles P-C4'-P energy: -47.664 tors. eta vs tors. theta energy: -93.455 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: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1046.000187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.000187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.000187 (E_RNA) where: Base-Base interactions energy: -737.729 where: short stacking energy: -290.159 Base-Backbone interact. energy: -1.271 local terms energy: -307.000219 where: bonds (distance) C4'-P energy: -53.842 bonds (distance) P-C4' energy: -66.052 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -30.283 tors. eta vs tors. theta energy: -82.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1047.569528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.569528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.569528 (E_RNA) where: Base-Base interactions energy: -718.490 where: short stacking energy: -284.829 Base-Backbone interact. energy: -1.007 local terms energy: -328.073062 where: bonds (distance) C4'-P energy: -56.532 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -65.575 flat angles P-C4'-P energy: -52.303 tors. eta vs tors. theta energy: -86.041 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: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1034.994335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.994335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.994335 (E_RNA) where: Base-Base interactions energy: -727.231 where: short stacking energy: -282.151 Base-Backbone interact. energy: -1.338 local terms energy: -306.424638 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -61.878 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -50.151 tors. eta vs tors. theta energy: -81.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -843.555958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.555958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.555958 (E_RNA) where: Base-Base interactions energy: -558.250 where: short stacking energy: -237.409 Base-Backbone interact. energy: -0.949 local terms energy: -284.357258 where: bonds (distance) C4'-P energy: -57.513 bonds (distance) P-C4' energy: -58.385 flat angles C4'-P-C4' energy: -69.924 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -57.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -774.215631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.215631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.215631 (E_RNA) where: Base-Base interactions energy: -497.349 where: short stacking energy: -220.108 Base-Backbone interact. energy: -0.910 local terms energy: -275.956908 where: bonds (distance) C4'-P energy: -58.016 bonds (distance) P-C4' energy: -58.003 flat angles C4'-P-C4' energy: -64.155 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -57.352 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: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -587.282611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.282611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.282611 (E_RNA) where: Base-Base interactions energy: -377.520 where: short stacking energy: -179.362 Base-Backbone interact. energy: 3.255 local terms energy: -213.017208 where: bonds (distance) C4'-P energy: -51.063 bonds (distance) P-C4' energy: -51.905 flat angles C4'-P-C4' energy: -61.554 flat angles P-C4'-P energy: -17.192 tors. eta vs tors. theta energy: -31.304 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: 2 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -399.093042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.093042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.093042 (E_RNA) where: Base-Base interactions energy: -180.611 where: short stacking energy: -91.742 Base-Backbone interact. energy: 1.978 local terms energy: -220.459872 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -60.742 flat angles P-C4'-P energy: -26.526 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -294.196239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.196239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.196239 (E_RNA) where: Base-Base interactions energy: -128.901 where: short stacking energy: -76.818 Base-Backbone interact. energy: 1.965 local terms energy: -167.259939 where: bonds (distance) C4'-P energy: -49.937 bonds (distance) P-C4' energy: -51.027 flat angles C4'-P-C4' energy: -50.015 flat angles P-C4'-P energy: -24.109 tors. eta vs tors. theta energy: 7.830 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: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1206.815733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.815733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.815733 (E_RNA) where: Base-Base interactions energy: -849.537 where: short stacking energy: -348.696 Base-Backbone interact. energy: -0.692 local terms energy: -356.586921 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -65.410 flat angles C4'-P-C4' energy: -73.906 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -106.064 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: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1159.245342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.245342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.245342 (E_RNA) where: Base-Base interactions energy: -812.546 where: short stacking energy: -311.906 Base-Backbone interact. energy: -2.605 local terms energy: -344.093654 where: bonds (distance) C4'-P energy: -62.535 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -48.390 tors. eta vs tors. theta energy: -92.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1084.698053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.698053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.698053 (E_RNA) where: Base-Base interactions energy: -737.716 where: short stacking energy: -301.585 Base-Backbone interact. energy: 0.157 local terms energy: -347.139618 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -71.196 flat angles C4'-P-C4' energy: -75.129 flat angles P-C4'-P energy: -48.744 tors. eta vs tors. theta energy: -88.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1053.316146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.316146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.316146 (E_RNA) where: Base-Base interactions energy: -736.918 where: short stacking energy: -288.869 Base-Backbone interact. energy: -3.588 local terms energy: -312.809739 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -54.445 flat angles C4'-P-C4' energy: -61.080 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -90.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1026.886022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.886022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.886022 (E_RNA) where: Base-Base interactions energy: -719.809 where: short stacking energy: -293.225 Base-Backbone interact. energy: 1.391 local terms energy: -308.467898 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -55.352 flat angles P-C4'-P energy: -40.509 tors. eta vs tors. theta energy: -84.324 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: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -840.839464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.839464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.839464 (E_RNA) where: Base-Base interactions energy: -570.013 where: short stacking energy: -242.225 Base-Backbone interact. energy: 0.726 local terms energy: -271.553022 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -46.576 flat angles C4'-P-C4' energy: -63.216 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -62.647 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: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -782.563202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.563202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.563202 (E_RNA) where: Base-Base interactions energy: -494.351 where: short stacking energy: -209.481 Base-Backbone interact. energy: -1.621 local terms energy: -286.591318 where: bonds (distance) C4'-P energy: -59.653 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -64.687 flat angles P-C4'-P energy: -42.803 tors. eta vs tors. theta energy: -60.000 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: 276 Temperature: 1.250000 Total energy: -595.066274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.066274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.066274 (E_RNA) where: Base-Base interactions energy: -366.675 where: short stacking energy: -186.976 Base-Backbone interact. energy: 0.833 local terms energy: -229.224355 where: bonds (distance) C4'-P energy: -49.909 bonds (distance) P-C4' energy: -61.918 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -29.133 tors. eta vs tors. theta energy: -24.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -419.735125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.735125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.735125 (E_RNA) where: Base-Base interactions energy: -201.798 where: short stacking energy: -114.097 Base-Backbone interact. energy: -1.738 local terms energy: -216.199109 where: bonds (distance) C4'-P energy: -66.634 bonds (distance) P-C4' energy: -55.071 flat angles C4'-P-C4' energy: -49.890 flat angles P-C4'-P energy: -33.601 tors. eta vs tors. theta energy: -11.003 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: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -273.486003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.486003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.486003 (E_RNA) where: Base-Base interactions energy: -111.949 where: short stacking energy: -84.389 Base-Backbone interact. energy: -1.542 local terms energy: -159.994198 where: bonds (distance) C4'-P energy: -56.071 bonds (distance) P-C4' energy: -44.488 flat angles C4'-P-C4' energy: -33.857 flat angles P-C4'-P energy: -36.951 tors. eta vs tors. theta energy: 11.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1201.537141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.537141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.537141 (E_RNA) where: Base-Base interactions energy: -846.922 where: short stacking energy: -329.066 Base-Backbone interact. energy: -0.293 local terms energy: -354.321728 where: bonds (distance) C4'-P energy: -65.106 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -72.129 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -100.309 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: 277 Temperature: 0.950000 Total energy: -1099.259676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.259676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.259676 (E_RNA) where: Base-Base interactions energy: -748.744 where: short stacking energy: -303.983 Base-Backbone interact. energy: -3.602 local terms energy: -346.913003 where: bonds (distance) C4'-P energy: -58.135 bonds (distance) P-C4' energy: -70.850 flat angles C4'-P-C4' energy: -71.543 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: -97.396 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: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1120.290366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.290366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.290366 (E_RNA) where: Base-Base interactions energy: -783.923 where: short stacking energy: -307.908 Base-Backbone interact. energy: -1.068 local terms energy: -335.299027 where: bonds (distance) C4'-P energy: -58.558 bonds (distance) P-C4' energy: -65.086 flat angles C4'-P-C4' energy: -71.237 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -94.375 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: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1034.303663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.303663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.303663 (E_RNA) where: Base-Base interactions energy: -715.230 where: short stacking energy: -291.350 Base-Backbone interact. energy: -0.716 local terms energy: -318.357115 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -68.712 flat angles C4'-P-C4' energy: -62.845 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -85.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1038.854707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.854707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.854707 (E_RNA) where: Base-Base interactions energy: -751.336 where: short stacking energy: -307.267 Base-Backbone interact. energy: -1.471 local terms energy: -286.047258 where: bonds (distance) C4'-P energy: -54.304 bonds (distance) P-C4' energy: -50.126 flat angles C4'-P-C4' energy: -62.465 flat angles P-C4'-P energy: -32.705 tors. eta vs tors. theta energy: -86.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -880.490369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.490369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.490369 (E_RNA) where: Base-Base interactions energy: -577.483 where: short stacking energy: -255.608 Base-Backbone interact. energy: -1.004 local terms energy: -302.003259 where: bonds (distance) C4'-P energy: -57.820 bonds (distance) P-C4' energy: -55.441 flat angles C4'-P-C4' energy: -66.291 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -74.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -777.234217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.234217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.234217 (E_RNA) where: Base-Base interactions energy: -513.944 where: short stacking energy: -220.732 Base-Backbone interact. energy: 1.012 local terms energy: -264.302738 where: bonds (distance) C4'-P energy: -46.602 bonds (distance) P-C4' energy: -61.169 flat angles C4'-P-C4' energy: -58.264 flat angles P-C4'-P energy: -46.335 tors. eta vs tors. theta energy: -51.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -601.057582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.057582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.057582 (E_RNA) where: Base-Base interactions energy: -361.459 where: short stacking energy: -181.127 Base-Backbone interact. energy: -1.303 local terms energy: -238.295438 where: bonds (distance) C4'-P energy: -53.738 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -32.740 tors. eta vs tors. theta energy: -24.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -406.360531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.360531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.360531 (E_RNA) where: Base-Base interactions energy: -185.386 where: short stacking energy: -98.098 Base-Backbone interact. energy: 1.439 local terms energy: -222.413095 where: bonds (distance) C4'-P energy: -53.616 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -53.045 flat angles P-C4'-P energy: -30.439 tors. eta vs tors. theta energy: -17.518 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: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -275.414283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.414283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.414283 (E_RNA) where: Base-Base interactions energy: -92.099 where: short stacking energy: -87.906 Base-Backbone interact. energy: 1.766 local terms energy: -185.081188 where: bonds (distance) C4'-P energy: -55.225 bonds (distance) P-C4' energy: -48.249 flat angles C4'-P-C4' energy: -51.899 flat angles P-C4'-P energy: -33.876 tors. eta vs tors. theta energy: 4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1212.933972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.933972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.933972 (E_RNA) where: Base-Base interactions energy: -867.407 where: short stacking energy: -339.169 Base-Backbone interact. energy: -0.778 local terms energy: -344.748848 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -52.051 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -99.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1082.455676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.455676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.455676 (E_RNA) where: Base-Base interactions energy: -735.318 where: short stacking energy: -285.519 Base-Backbone interact. energy: -3.463 local terms energy: -343.674496 where: bonds (distance) C4'-P energy: -70.924 bonds (distance) P-C4' energy: -70.924 flat angles C4'-P-C4' energy: -72.239 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: -88.597 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1135.488092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.488092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.488092 (E_RNA) where: Base-Base interactions energy: -787.942 where: short stacking energy: -311.673 Base-Backbone interact. energy: 0.424 local terms energy: -347.970099 where: bonds (distance) C4'-P energy: -63.614 bonds (distance) P-C4' energy: -52.052 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -100.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1025.596638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.596638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.596638 (E_RNA) where: Base-Base interactions energy: -692.220 where: short stacking energy: -277.941 Base-Backbone interact. energy: -0.302 local terms energy: -333.074925 where: bonds (distance) C4'-P energy: -66.119 bonds (distance) P-C4' energy: -65.455 flat angles C4'-P-C4' energy: -67.508 flat angles P-C4'-P energy: -48.387 tors. eta vs tors. theta energy: -85.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1011.915359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.915359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.915359 (E_RNA) where: Base-Base interactions energy: -691.689 where: short stacking energy: -283.784 Base-Backbone interact. energy: -1.935 local terms energy: -318.291346 where: bonds (distance) C4'-P energy: -59.392 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -38.001 tors. eta vs tors. theta energy: -89.319 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: 278 Temperature: 1.150000 Total energy: -884.006624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.006624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.006624 (E_RNA) where: Base-Base interactions energy: -589.488 where: short stacking energy: -238.896 Base-Backbone interact. energy: -1.259 local terms energy: -293.259363 where: bonds (distance) C4'-P energy: -70.195 bonds (distance) P-C4' energy: -54.085 flat angles C4'-P-C4' energy: -57.019 flat angles P-C4'-P energy: -47.989 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -785.624500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.624500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.624500 (E_RNA) where: Base-Base interactions energy: -530.417 where: short stacking energy: -229.030 Base-Backbone interact. energy: -0.489 local terms energy: -254.718095 where: bonds (distance) C4'-P energy: -44.123 bonds (distance) P-C4' energy: -51.499 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -30.149 tors. eta vs tors. theta energy: -62.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -599.567276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.567276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.567276 (E_RNA) where: Base-Base interactions energy: -355.945 where: short stacking energy: -170.150 Base-Backbone interact. energy: -0.117 local terms energy: -243.505752 where: bonds (distance) C4'-P energy: -47.061 bonds (distance) P-C4' energy: -58.839 flat angles C4'-P-C4' energy: -62.382 flat angles P-C4'-P energy: -36.047 tors. eta vs tors. theta energy: -39.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -447.202820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.202820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.202820 (E_RNA) where: Base-Base interactions energy: -227.381 where: short stacking energy: -126.404 Base-Backbone interact. energy: -0.518 local terms energy: -219.303705 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -56.070 flat angles C4'-P-C4' energy: -52.969 flat angles P-C4'-P energy: -28.313 tors. eta vs tors. theta energy: -12.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -279.821178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.821178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.821178 (E_RNA) where: Base-Base interactions energy: -107.092 where: short stacking energy: -90.670 Base-Backbone interact. energy: -0.077 local terms energy: -172.652097 where: bonds (distance) C4'-P energy: -46.125 bonds (distance) P-C4' energy: -51.581 flat angles C4'-P-C4' energy: -43.670 flat angles P-C4'-P energy: -33.510 tors. eta vs tors. theta energy: 2.234 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: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1211.197495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.197495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.197495 (E_RNA) where: Base-Base interactions energy: -852.833 where: short stacking energy: -327.601 Base-Backbone interact. energy: -3.291 local terms energy: -355.073230 where: bonds (distance) C4'-P energy: -51.338 bonds (distance) P-C4' energy: -71.512 flat angles C4'-P-C4' energy: -80.563 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -102.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1150.967629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.967629 (E_RNA) where: Base-Base interactions energy: -806.378 where: short stacking energy: -324.873 Base-Backbone interact. energy: -1.440 local terms energy: -343.149772 where: bonds (distance) C4'-P energy: -64.120 bonds (distance) P-C4' energy: -63.907 flat angles C4'-P-C4' energy: -79.472 flat angles P-C4'-P energy: -41.582 tors. eta vs tors. theta energy: -94.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1075.195290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.195290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.195290 (E_RNA) where: Base-Base interactions energy: -758.434 where: short stacking energy: -315.132 Base-Backbone interact. energy: -0.717 local terms energy: -316.044152 where: bonds (distance) C4'-P energy: -50.793 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -64.839 flat angles P-C4'-P energy: -46.768 tors. eta vs tors. theta energy: -85.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1070.976740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.976740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.976740 (E_RNA) where: Base-Base interactions energy: -739.186 where: short stacking energy: -302.913 Base-Backbone interact. energy: -0.466 local terms energy: -331.324236 where: bonds (distance) C4'-P energy: -68.614 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -90.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -999.733164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.733164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.733164 (E_RNA) where: Base-Base interactions energy: -693.489 where: short stacking energy: -275.080 Base-Backbone interact. energy: -1.218 local terms energy: -305.026380 where: bonds (distance) C4'-P energy: -58.448 bonds (distance) P-C4' energy: -61.109 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -39.921 tors. eta vs tors. theta energy: -84.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -876.406327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.406327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.406327 (E_RNA) where: Base-Base interactions energy: -589.253 where: short stacking energy: -239.732 Base-Backbone interact. energy: -1.655 local terms energy: -285.498011 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -58.474 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -65.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -758.719068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.719068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.719068 (E_RNA) where: Base-Base interactions energy: -488.426 where: short stacking energy: -222.551 Base-Backbone interact. energy: 0.318 local terms energy: -270.611555 where: bonds (distance) C4'-P energy: -53.671 bonds (distance) P-C4' energy: -60.990 flat angles C4'-P-C4' energy: -59.800 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -58.036 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: 279 Temperature: 1.250000 Total energy: -585.219096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.219096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.219096 (E_RNA) where: Base-Base interactions energy: -350.246 where: short stacking energy: -163.364 Base-Backbone interact. energy: -1.405 local terms energy: -233.567622 where: bonds (distance) C4'-P energy: -46.211 bonds (distance) P-C4' energy: -66.460 flat angles C4'-P-C4' energy: -50.893 flat angles P-C4'-P energy: -41.839 tors. eta vs tors. theta energy: -28.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -443.431211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.431211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.431211 (E_RNA) where: Base-Base interactions energy: -210.861 where: short stacking energy: -107.813 Base-Backbone interact. energy: -0.486 local terms energy: -232.084341 where: bonds (distance) C4'-P energy: -51.522 bonds (distance) P-C4' energy: -73.944 flat angles C4'-P-C4' energy: -55.789 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -13.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -277.824214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.824214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.824214 (E_RNA) where: Base-Base interactions energy: -98.425 where: short stacking energy: -91.159 Base-Backbone interact. energy: 2.390 local terms energy: -181.789761 where: bonds (distance) C4'-P energy: -50.229 bonds (distance) P-C4' energy: -53.775 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -27.036 tors. eta vs tors. theta energy: 2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1231.065851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.065851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.065851 (E_RNA) where: Base-Base interactions energy: -868.763 where: short stacking energy: -330.009 Base-Backbone interact. energy: -1.680 local terms energy: -360.622316 where: bonds (distance) C4'-P energy: -62.480 bonds (distance) P-C4' energy: -68.841 flat angles C4'-P-C4' energy: -77.923 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -106.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1154.653994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.653994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.653994 (E_RNA) where: Base-Base interactions energy: -823.838 where: short stacking energy: -310.056 Base-Backbone interact. energy: -1.661 local terms energy: -329.154719 where: bonds (distance) C4'-P energy: -69.015 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -40.846 tors. eta vs tors. theta energy: -90.766 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: 280 Temperature: 1.000000 Total energy: -1084.918482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.918482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.918482 (E_RNA) where: Base-Base interactions energy: -767.918 where: short stacking energy: -309.210 Base-Backbone interact. energy: 0.101 local terms energy: -317.101404 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -53.610 flat angles P-C4'-P energy: -47.515 tors. eta vs tors. theta energy: -94.262 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: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1046.714426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.714426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.714426 (E_RNA) where: Base-Base interactions energy: -723.159 where: short stacking energy: -292.129 Base-Backbone interact. energy: -0.320 local terms energy: -323.235994 where: bonds (distance) C4'-P energy: -65.284 bonds (distance) P-C4' energy: -63.780 flat angles C4'-P-C4' energy: -61.513 flat angles P-C4'-P energy: -39.475 tors. eta vs tors. theta energy: -93.185 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: 9 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1032.168693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.168693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.168693 (E_RNA) where: Base-Base interactions energy: -712.786 where: short stacking energy: -270.332 Base-Backbone interact. energy: 3.551 local terms energy: -322.934444 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -63.376 flat angles P-C4'-P energy: -50.895 tors. eta vs tors. theta energy: -87.530 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: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -857.632472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.632472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.632472 (E_RNA) where: Base-Base interactions energy: -562.994 where: short stacking energy: -242.763 Base-Backbone interact. energy: -0.279 local terms energy: -294.359910 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -65.007 flat angles C4'-P-C4' energy: -57.217 flat angles P-C4'-P energy: -41.118 tors. eta vs tors. theta energy: -70.237 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: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -770.091198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.091198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.091198 (E_RNA) where: Base-Base interactions energy: -505.889 where: short stacking energy: -203.422 Base-Backbone interact. energy: 0.685 local terms energy: -264.887292 where: bonds (distance) C4'-P energy: -53.878 bonds (distance) P-C4' energy: -55.889 flat angles C4'-P-C4' energy: -61.536 flat angles P-C4'-P energy: -44.538 tors. eta vs tors. theta energy: -49.046 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -629.398255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.398255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.398255 (E_RNA) where: Base-Base interactions energy: -376.305 where: short stacking energy: -160.618 Base-Backbone interact. energy: 0.629 local terms energy: -253.722932 where: bonds (distance) C4'-P energy: -51.958 bonds (distance) P-C4' energy: -67.146 flat angles C4'-P-C4' energy: -63.260 flat angles P-C4'-P energy: -36.534 tors. eta vs tors. theta energy: -34.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -421.451259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.451259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.451259 (E_RNA) where: Base-Base interactions energy: -221.285 where: short stacking energy: -125.598 Base-Backbone interact. energy: -0.955 local terms energy: -199.211102 where: bonds (distance) C4'-P energy: -47.011 bonds (distance) P-C4' energy: -58.873 flat angles C4'-P-C4' energy: -53.184 flat angles P-C4'-P energy: -31.584 tors. eta vs tors. theta energy: -8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -290.511086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.511086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.511086 (E_RNA) where: Base-Base interactions energy: -115.572 where: short stacking energy: -84.959 Base-Backbone interact. energy: -0.107 local terms energy: -174.832477 where: bonds (distance) C4'-P energy: -41.515 bonds (distance) P-C4' energy: -59.461 flat angles C4'-P-C4' energy: -47.762 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: 7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1229.758426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.758426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.758426 (E_RNA) where: Base-Base interactions energy: -861.814 where: short stacking energy: -327.466 Base-Backbone interact. energy: -2.214 local terms energy: -365.730858 where: bonds (distance) C4'-P energy: -70.884 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -51.938 tors. eta vs tors. theta energy: -103.634 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: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1148.094154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.094154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.094154 (E_RNA) where: Base-Base interactions energy: -805.348 where: short stacking energy: -314.343 Base-Backbone interact. energy: -1.377 local terms energy: -341.369961 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -60.312 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -93.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1102.784685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.784685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.784685 (E_RNA) where: Base-Base interactions energy: -764.694 where: short stacking energy: -304.010 Base-Backbone interact. energy: -2.883 local terms energy: -335.207867 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -75.796 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -92.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1060.398925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.398925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.398925 (E_RNA) where: Base-Base interactions energy: -739.947 where: short stacking energy: -288.821 Base-Backbone interact. energy: -2.139 local terms energy: -318.313054 where: bonds (distance) C4'-P energy: -56.580 bonds (distance) P-C4' energy: -54.785 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -90.791 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: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1032.801105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.801105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.801105 (E_RNA) where: Base-Base interactions energy: -709.958 where: short stacking energy: -297.841 Base-Backbone interact. energy: -1.111 local terms energy: -321.732019 where: bonds (distance) C4'-P energy: -55.812 bonds (distance) P-C4' energy: -64.689 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -44.472 tors. eta vs tors. theta energy: -88.611 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: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -879.118569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.118569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.118569 (E_RNA) where: Base-Base interactions energy: -580.201 where: short stacking energy: -256.684 Base-Backbone interact. energy: 0.313 local terms energy: -299.230770 where: bonds (distance) C4'-P energy: -49.617 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -74.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -752.218219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.218219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.218219 (E_RNA) where: Base-Base interactions energy: -483.599 where: short stacking energy: -224.491 Base-Backbone interact. energy: 3.654 local terms energy: -272.273284 where: bonds (distance) C4'-P energy: -60.148 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -56.894 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -57.552 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: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -626.119485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.119485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.119485 (E_RNA) where: Base-Base interactions energy: -380.685 where: short stacking energy: -185.643 Base-Backbone interact. energy: -1.139 local terms energy: -244.295979 where: bonds (distance) C4'-P energy: -62.965 bonds (distance) P-C4' energy: -50.768 flat angles C4'-P-C4' energy: -61.119 flat angles P-C4'-P energy: -30.521 tors. eta vs tors. theta energy: -38.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -428.886841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.886841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.886841 (E_RNA) where: Base-Base interactions energy: -246.098 where: short stacking energy: -140.486 Base-Backbone interact. energy: 1.737 local terms energy: -184.525541 where: bonds (distance) C4'-P energy: -49.202 bonds (distance) P-C4' energy: -50.571 flat angles C4'-P-C4' energy: -57.675 flat angles P-C4'-P energy: -29.392 tors. eta vs tors. theta energy: 2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -317.955646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.955646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.955646 (E_RNA) where: Base-Base interactions energy: -137.494 where: short stacking energy: -89.954 Base-Backbone interact. energy: 2.122 local terms energy: -182.583256 where: bonds (distance) C4'-P energy: -52.539 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -42.262 flat angles P-C4'-P energy: -24.683 tors. eta vs tors. theta energy: -4.942 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: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1227.189293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.189293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.189293 (E_RNA) where: Base-Base interactions energy: -872.468 where: short stacking energy: -329.642 Base-Backbone interact. energy: -3.187 local terms energy: -351.533418 where: bonds (distance) C4'-P energy: -62.438 bonds (distance) P-C4' energy: -69.759 flat angles C4'-P-C4' energy: -76.941 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -99.806 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: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1146.214718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.214718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.214718 (E_RNA) where: Base-Base interactions energy: -800.664 where: short stacking energy: -324.652 Base-Backbone interact. energy: 0.982 local terms energy: -346.532297 where: bonds (distance) C4'-P energy: -64.354 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -79.103 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -89.562 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: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1103.593784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.593784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.593784 (E_RNA) where: Base-Base interactions energy: -764.796 where: short stacking energy: -312.200 Base-Backbone interact. energy: -0.784 local terms energy: -338.013945 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -67.709 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -43.556 tors. eta vs tors. theta energy: -89.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1057.132822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.132822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.132822 (E_RNA) where: Base-Base interactions energy: -741.542 where: short stacking energy: -307.666 Base-Backbone interact. energy: -1.600 local terms energy: -313.991192 where: bonds (distance) C4'-P energy: -47.401 bonds (distance) P-C4' energy: -60.136 flat angles C4'-P-C4' energy: -70.520 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -87.447 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: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1054.162947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.162947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.162947 (E_RNA) where: Base-Base interactions energy: -759.983 where: short stacking energy: -293.411 Base-Backbone interact. energy: -1.034 local terms energy: -293.146142 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -59.254 flat angles C4'-P-C4' energy: -64.878 flat angles P-C4'-P energy: -40.151 tors. eta vs tors. theta energy: -76.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -887.704182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.704182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.704182 (E_RNA) where: Base-Base interactions energy: -605.281 where: short stacking energy: -256.476 Base-Backbone interact. energy: -2.490 local terms energy: -279.932593 where: bonds (distance) C4'-P energy: -47.199 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -65.417 flat angles P-C4'-P energy: -31.245 tors. eta vs tors. theta energy: -73.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -771.842324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.842324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.842324 (E_RNA) where: Base-Base interactions energy: -495.068 where: short stacking energy: -224.113 Base-Backbone interact. energy: -1.195 local terms energy: -275.579011 where: bonds (distance) C4'-P energy: -63.523 bonds (distance) P-C4' energy: -55.485 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: -55.611 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -579.620443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.620443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.620443 (E_RNA) where: Base-Base interactions energy: -359.604 where: short stacking energy: -184.568 Base-Backbone interact. energy: -0.640 local terms energy: -219.376671 where: bonds (distance) C4'-P energy: -40.232 bonds (distance) P-C4' energy: -54.502 flat angles C4'-P-C4' energy: -59.468 flat angles P-C4'-P energy: -24.508 tors. eta vs tors. theta energy: -40.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -298.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.820128 (E_RNA) where: Base-Base interactions energy: -119.193 where: short stacking energy: -103.565 Base-Backbone interact. energy: 1.213 local terms energy: -180.840089 where: bonds (distance) C4'-P energy: -49.581 bonds (distance) P-C4' energy: -54.941 flat angles C4'-P-C4' energy: -50.137 flat angles P-C4'-P energy: -27.395 tors. eta vs tors. theta energy: 1.214 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: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -408.100040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.100040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.100040 (E_RNA) where: Base-Base interactions energy: -190.322 where: short stacking energy: -105.815 Base-Backbone interact. energy: 0.985 local terms energy: -218.763392 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -65.862 flat angles C4'-P-C4' energy: -58.260 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -9.061 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: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1223.613883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.613883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.613883 (E_RNA) where: Base-Base interactions energy: -865.929 where: short stacking energy: -328.778 Base-Backbone interact. energy: -1.486 local terms energy: -356.198819 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -65.253 flat angles C4'-P-C4' energy: -77.210 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -100.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1137.933194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.933194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.933194 (E_RNA) where: Base-Base interactions energy: -807.566 where: short stacking energy: -322.076 Base-Backbone interact. energy: 1.193 local terms energy: -331.560796 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -68.707 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -89.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1093.275504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.275504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.275504 (E_RNA) where: Base-Base interactions energy: -755.717 where: short stacking energy: -302.287 Base-Backbone interact. energy: -0.779 local terms energy: -336.779512 where: bonds (distance) C4'-P energy: -61.108 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -45.126 tors. eta vs tors. theta energy: -90.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1076.111826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.111826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.111826 (E_RNA) where: Base-Base interactions energy: -762.673 where: short stacking energy: -302.166 Base-Backbone interact. energy: -1.289 local terms energy: -312.149608 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -72.157 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: -81.847 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: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1015.111729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.111729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.111729 (E_RNA) where: Base-Base interactions energy: -704.372 where: short stacking energy: -280.175 Base-Backbone interact. energy: -0.643 local terms energy: -310.096322 where: bonds (distance) C4'-P energy: -64.610 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -66.946 flat angles P-C4'-P energy: -26.476 tors. eta vs tors. theta energy: -83.425 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: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -846.597049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.597049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.597049 (E_RNA) where: Base-Base interactions energy: -560.134 where: short stacking energy: -233.668 Base-Backbone interact. energy: -0.954 local terms energy: -285.508910 where: bonds (distance) C4'-P energy: -49.269 bonds (distance) P-C4' energy: -60.509 flat angles C4'-P-C4' energy: -54.510 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -73.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -770.533853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.533853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.533853 (E_RNA) where: Base-Base interactions energy: -482.452 where: short stacking energy: -214.372 Base-Backbone interact. energy: 1.586 local terms energy: -289.668130 where: bonds (distance) C4'-P energy: -53.066 bonds (distance) P-C4' energy: -70.637 flat angles C4'-P-C4' energy: -58.990 flat angles P-C4'-P energy: -42.012 tors. eta vs tors. theta energy: -64.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -598.914452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.914452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.914452 (E_RNA) where: Base-Base interactions energy: -383.068 where: short stacking energy: -178.184 Base-Backbone interact. energy: 0.130 local terms energy: -215.976716 where: bonds (distance) C4'-P energy: -38.038 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -57.277 flat angles P-C4'-P energy: -29.426 tors. eta vs tors. theta energy: -29.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -314.802526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.802526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.802526 (E_RNA) where: Base-Base interactions energy: -148.599 where: short stacking energy: -116.326 Base-Backbone interact. energy: 1.793 local terms energy: -167.995791 where: bonds (distance) C4'-P energy: -51.377 bonds (distance) P-C4' energy: -49.732 flat angles C4'-P-C4' energy: -33.378 flat angles P-C4'-P energy: -28.704 tors. eta vs tors. theta energy: -4.805 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: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -388.378544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.378544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.378544 (E_RNA) where: Base-Base interactions energy: -191.207 where: short stacking energy: -113.169 Base-Backbone interact. energy: -0.862 local terms energy: -196.309104 where: bonds (distance) C4'-P energy: -42.584 bonds (distance) P-C4' energy: -61.344 flat angles C4'-P-C4' energy: -59.155 flat angles P-C4'-P energy: -19.804 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1207.613122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.613122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.613122 (E_RNA) where: Base-Base interactions energy: -880.595 where: short stacking energy: -323.163 Base-Backbone interact. energy: -1.936 local terms energy: -325.082503 where: bonds (distance) C4'-P energy: -64.345 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -94.154 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: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1131.040776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.040776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.040776 (E_RNA) where: Base-Base interactions energy: -797.084 where: short stacking energy: -305.987 Base-Backbone interact. energy: -0.730 local terms energy: -333.226762 where: bonds (distance) C4'-P energy: -60.145 bonds (distance) P-C4' energy: -63.046 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -88.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1106.748613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.748613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.748613 (E_RNA) where: Base-Base interactions energy: -782.703 where: short stacking energy: -312.428 Base-Backbone interact. energy: -0.894 local terms energy: -323.151556 where: bonds (distance) C4'-P energy: -47.326 bonds (distance) P-C4' energy: -70.970 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -94.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1091.743032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.743032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.743032 (E_RNA) where: Base-Base interactions energy: -755.144 where: short stacking energy: -318.570 Base-Backbone interact. energy: -0.081 local terms energy: -336.518471 where: bonds (distance) C4'-P energy: -62.666 bonds (distance) P-C4' energy: -61.357 flat angles C4'-P-C4' energy: -68.254 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -92.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -988.954604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.954604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.954604 (E_RNA) where: Base-Base interactions energy: -688.627 where: short stacking energy: -258.716 Base-Backbone interact. energy: 4.732 local terms energy: -305.059642 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -60.113 flat angles C4'-P-C4' energy: -61.922 flat angles P-C4'-P energy: -46.513 tors. eta vs tors. theta energy: -77.318 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: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -856.299942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.299942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.299942 (E_RNA) where: Base-Base interactions energy: -576.577 where: short stacking energy: -241.729 Base-Backbone interact. energy: 2.432 local terms energy: -282.154697 where: bonds (distance) C4'-P energy: -56.620 bonds (distance) P-C4' energy: -57.840 flat angles C4'-P-C4' energy: -61.142 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -60.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -782.577412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.577412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.577412 (E_RNA) where: Base-Base interactions energy: -513.093 where: short stacking energy: -234.321 Base-Backbone interact. energy: -0.297 local terms energy: -269.187620 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -55.036 flat angles C4'-P-C4' energy: -58.170 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -61.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -594.190185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.190185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.190185 (E_RNA) where: Base-Base interactions energy: -373.076 where: short stacking energy: -164.552 Base-Backbone interact. energy: -0.533 local terms energy: -220.581104 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -21.761 tors. eta vs tors. theta energy: -23.583 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: 284 Temperature: 1.300000 Total energy: -419.752262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.752262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.752262 (E_RNA) where: Base-Base interactions energy: -207.637 where: short stacking energy: -107.450 Base-Backbone interact. energy: -0.120 local terms energy: -211.994721 where: bonds (distance) C4'-P energy: -58.913 bonds (distance) P-C4' energy: -66.656 flat angles C4'-P-C4' energy: -37.300 flat angles P-C4'-P energy: -40.245 tors. eta vs tors. theta energy: -8.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -269.344905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.344905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.344905 (E_RNA) where: Base-Base interactions energy: -117.831 where: short stacking energy: -75.963 Base-Backbone interact. energy: 1.788 local terms energy: -153.302799 where: bonds (distance) C4'-P energy: -44.154 bonds (distance) P-C4' energy: -56.629 flat angles C4'-P-C4' energy: -43.781 flat angles P-C4'-P energy: -27.372 tors. eta vs tors. theta energy: 18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1214.587781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.587781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.587781 (E_RNA) where: Base-Base interactions energy: -872.904 where: short stacking energy: -319.057 Base-Backbone interact. energy: -2.198 local terms energy: -339.486499 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -66.092 flat angles C4'-P-C4' energy: -64.111 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: -97.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1117.229976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.229976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.229976 (E_RNA) where: Base-Base interactions energy: -778.156 where: short stacking energy: -305.048 Base-Backbone interact. energy: -1.154 local terms energy: -337.920050 where: bonds (distance) C4'-P energy: -66.372 bonds (distance) P-C4' energy: -55.925 flat angles C4'-P-C4' energy: -74.506 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -88.634 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: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1118.097038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.097038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.097038 (E_RNA) where: Base-Base interactions energy: -775.484 where: short stacking energy: -313.333 Base-Backbone interact. energy: -1.509 local terms energy: -341.104553 where: bonds (distance) C4'-P energy: -65.071 bonds (distance) P-C4' energy: -71.190 flat angles C4'-P-C4' energy: -63.436 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -96.661 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: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1055.494892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.494892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.494892 (E_RNA) where: Base-Base interactions energy: -716.534 where: short stacking energy: -291.529 Base-Backbone interact. energy: -2.044 local terms energy: -336.917203 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -59.474 flat angles C4'-P-C4' energy: -67.848 flat angles P-C4'-P energy: -47.459 tors. eta vs tors. theta energy: -92.789 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: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1008.029531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.029531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.029531 (E_RNA) where: Base-Base interactions energy: -687.168 where: short stacking energy: -280.983 Base-Backbone interact. energy: 1.340 local terms energy: -322.201683 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -64.489 flat angles P-C4'-P energy: -50.462 tors. eta vs tors. theta energy: -82.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -927.980605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.980605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.980605 (E_RNA) where: Base-Base interactions energy: -630.870 where: short stacking energy: -263.302 Base-Backbone interact. energy: -1.383 local terms energy: -295.727347 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -60.407 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: -74.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -790.284501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.284501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.284501 (E_RNA) where: Base-Base interactions energy: -532.178 where: short stacking energy: -236.188 Base-Backbone interact. energy: -0.538 local terms energy: -257.568901 where: bonds (distance) C4'-P energy: -43.778 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -31.403 tors. eta vs tors. theta energy: -61.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -601.781072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.781072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.781072 (E_RNA) where: Base-Base interactions energy: -370.896 where: short stacking energy: -187.292 Base-Backbone interact. energy: -1.193 local terms energy: -229.692122 where: bonds (distance) C4'-P energy: -36.122 bonds (distance) P-C4' energy: -73.212 flat angles C4'-P-C4' energy: -47.734 flat angles P-C4'-P energy: -32.075 tors. eta vs tors. theta energy: -40.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -423.097756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.097756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.097756 (E_RNA) where: Base-Base interactions energy: -238.765 where: short stacking energy: -147.415 Base-Backbone interact. energy: -2.842 local terms energy: -181.489887 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -49.407 flat angles C4'-P-C4' energy: -52.847 flat angles P-C4'-P energy: -16.937 tors. eta vs tors. theta energy: -10.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -264.656417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.656417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.656417 (E_RNA) where: Base-Base interactions energy: -109.060 where: short stacking energy: -80.021 Base-Backbone interact. energy: -1.355 local terms energy: -154.241728 where: bonds (distance) C4'-P energy: -49.958 bonds (distance) P-C4' energy: -50.611 flat angles C4'-P-C4' energy: -36.595 flat angles P-C4'-P energy: -30.750 tors. eta vs tors. theta energy: 13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1223.193187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.193187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.193187 (E_RNA) where: Base-Base interactions energy: -868.684 where: short stacking energy: -340.474 Base-Backbone interact. energy: -0.759 local terms energy: -353.749775 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -69.560 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -104.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1124.818957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.818957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.818957 (E_RNA) where: Base-Base interactions energy: -796.372 where: short stacking energy: -313.400 Base-Backbone interact. energy: -1.237 local terms energy: -327.210113 where: bonds (distance) C4'-P energy: -62.714 bonds (distance) P-C4' energy: -55.231 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -87.434 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: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1110.687821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.687821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.687821 (E_RNA) where: Base-Base interactions energy: -790.531 where: short stacking energy: -311.038 Base-Backbone interact. energy: -0.020 local terms energy: -320.137537 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -90.998 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: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1089.215873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.215873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.215873 (E_RNA) where: Base-Base interactions energy: -747.323 where: short stacking energy: -304.842 Base-Backbone interact. energy: -1.951 local terms energy: -339.941657 where: bonds (distance) C4'-P energy: -65.267 bonds (distance) P-C4' energy: -65.852 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -96.135 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: 286 Temperature: 1.100000 Total energy: -962.975954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.975954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.975954 (E_RNA) where: Base-Base interactions energy: -652.608 where: short stacking energy: -265.869 Base-Backbone interact. energy: -1.253 local terms energy: -309.115466 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -81.311 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: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -975.531014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.531014 (E_RNA) where: Base-Base interactions energy: -682.809 where: short stacking energy: -262.624 Base-Backbone interact. energy: -0.589 local terms energy: -292.132715 where: bonds (distance) C4'-P energy: -48.927 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -62.293 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -71.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -787.096233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.096233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.096233 (E_RNA) where: Base-Base interactions energy: -515.260 where: short stacking energy: -240.056 Base-Backbone interact. energy: -0.364 local terms energy: -271.471903 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -62.239 flat angles C4'-P-C4' energy: -54.824 flat angles P-C4'-P energy: -32.806 tors. eta vs tors. theta energy: -59.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -585.288380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.288380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.288380 (E_RNA) where: Base-Base interactions energy: -363.805 where: short stacking energy: -160.533 Base-Backbone interact. energy: -1.776 local terms energy: -219.706486 where: bonds (distance) C4'-P energy: -53.527 bonds (distance) P-C4' energy: -48.264 flat angles C4'-P-C4' energy: -55.691 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: -29.542 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: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -398.639771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.639771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.639771 (E_RNA) where: Base-Base interactions energy: -185.832 where: short stacking energy: -112.917 Base-Backbone interact. energy: -2.458 local terms energy: -210.349789 where: bonds (distance) C4'-P energy: -50.673 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -59.936 flat angles P-C4'-P energy: -34.914 tors. eta vs tors. theta energy: -5.920 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -280.199712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.199712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.199712 (E_RNA) where: Base-Base interactions energy: -99.681 where: short stacking energy: -84.901 Base-Backbone interact. energy: 2.054 local terms energy: -182.572791 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -51.823 flat angles C4'-P-C4' energy: -51.070 flat angles P-C4'-P energy: -33.465 tors. eta vs tors. theta energy: 10.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1226.038590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.038590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.038590 (E_RNA) where: Base-Base interactions energy: -876.401 where: short stacking energy: -335.172 Base-Backbone interact. energy: 1.853 local terms energy: -351.491031 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -74.646 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -100.201 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: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1152.499746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.499746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.499746 (E_RNA) where: Base-Base interactions energy: -802.964 where: short stacking energy: -313.433 Base-Backbone interact. energy: -1.679 local terms energy: -347.857026 where: bonds (distance) C4'-P energy: -69.031 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -69.237 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -97.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1115.888438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.888438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.888438 (E_RNA) where: Base-Base interactions energy: -791.936 where: short stacking energy: -306.592 Base-Backbone interact. energy: 0.786 local terms energy: -324.738902 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -63.531 flat angles C4'-P-C4' energy: -69.969 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -85.715 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: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1106.636621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.636621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.636621 (E_RNA) where: Base-Base interactions energy: -769.941 where: short stacking energy: -310.891 Base-Backbone interact. energy: -1.713 local terms energy: -334.982541 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -60.947 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -52.192 tors. eta vs tors. theta energy: -96.206 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: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -997.158465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.158465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.158465 (E_RNA) where: Base-Base interactions energy: -681.529 where: short stacking energy: -299.279 Base-Backbone interact. energy: -0.538 local terms energy: -315.091415 where: bonds (distance) C4'-P energy: -52.471 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -70.284 flat angles P-C4'-P energy: -40.959 tors. eta vs tors. theta energy: -95.196 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: 9 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -976.397727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.397727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.397727 (E_RNA) where: Base-Base interactions energy: -669.096 where: short stacking energy: -249.724 Base-Backbone interact. energy: -2.402 local terms energy: -304.899331 where: bonds (distance) C4'-P energy: -62.054 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -64.287 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -66.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -791.344428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.344428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.344428 (E_RNA) where: Base-Base interactions energy: -508.554 where: short stacking energy: -228.250 Base-Backbone interact. energy: 2.103 local terms energy: -284.893540 where: bonds (distance) C4'-P energy: -52.398 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -41.136 tors. eta vs tors. theta energy: -65.127 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: 287 Temperature: 1.250000 Total energy: -614.596053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.596053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.596053 (E_RNA) where: Base-Base interactions energy: -369.432 where: short stacking energy: -177.415 Base-Backbone interact. energy: -0.849 local terms energy: -244.314880 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -59.166 flat angles P-C4'-P energy: -33.394 tors. eta vs tors. theta energy: -38.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -407.774966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.774966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.774966 (E_RNA) where: Base-Base interactions energy: -194.799 where: short stacking energy: -126.390 Base-Backbone interact. energy: -0.855 local terms energy: -212.120683 where: bonds (distance) C4'-P energy: -51.359 bonds (distance) P-C4' energy: -53.996 flat angles C4'-P-C4' energy: -62.752 flat angles P-C4'-P energy: -29.713 tors. eta vs tors. theta energy: -14.301 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: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -270.546389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.546389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.546389 (E_RNA) where: Base-Base interactions energy: -83.939 where: short stacking energy: -68.938 Base-Backbone interact. energy: -0.503 local terms energy: -186.105145 where: bonds (distance) C4'-P energy: -56.574 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -53.613 flat angles P-C4'-P energy: -28.282 tors. eta vs tors. theta energy: 10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1229.194269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.194269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.194269 (E_RNA) where: Base-Base interactions energy: -879.359 where: short stacking energy: -346.843 Base-Backbone interact. energy: -2.195 local terms energy: -347.640635 where: bonds (distance) C4'-P energy: -62.356 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -71.154 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: -103.362 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: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1129.107332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.107332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.107332 (E_RNA) where: Base-Base interactions energy: -791.936 where: short stacking energy: -306.061 Base-Backbone interact. energy: -1.703 local terms energy: -335.468196 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -63.843 flat angles C4'-P-C4' energy: -67.450 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: -93.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1134.910934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.910934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.910934 (E_RNA) where: Base-Base interactions energy: -813.200 where: short stacking energy: -321.176 Base-Backbone interact. energy: -0.338 local terms energy: -321.372663 where: bonds (distance) C4'-P energy: -62.695 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -63.907 flat angles P-C4'-P energy: -41.870 tors. eta vs tors. theta energy: -86.626 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: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1081.286546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.286546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.286546 (E_RNA) where: Base-Base interactions energy: -749.058 where: short stacking energy: -312.417 Base-Backbone interact. energy: -1.584 local terms energy: -330.644922 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -54.156 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -96.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -978.646276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.646276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.646276 (E_RNA) where: Base-Base interactions energy: -660.371 where: short stacking energy: -287.974 Base-Backbone interact. energy: -1.936 local terms energy: -316.339201 where: bonds (distance) C4'-P energy: -57.064 bonds (distance) P-C4' energy: -68.526 flat angles C4'-P-C4' energy: -70.205 flat angles P-C4'-P energy: -45.362 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -944.652233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.652233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.652233 (E_RNA) where: Base-Base interactions energy: -642.844 where: short stacking energy: -270.328 Base-Backbone interact. energy: -2.980 local terms energy: -298.828274 where: bonds (distance) C4'-P energy: -55.781 bonds (distance) P-C4' energy: -48.715 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -76.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -798.925595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.925595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.925595 (E_RNA) where: Base-Base interactions energy: -531.568 where: short stacking energy: -240.394 Base-Backbone interact. energy: -0.521 local terms energy: -266.836134 where: bonds (distance) C4'-P energy: -62.211 bonds (distance) P-C4' energy: -50.713 flat angles C4'-P-C4' energy: -58.277 flat angles P-C4'-P energy: -29.736 tors. eta vs tors. theta energy: -65.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -602.756814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.756814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.756814 (E_RNA) where: Base-Base interactions energy: -355.616 where: short stacking energy: -167.667 Base-Backbone interact. energy: -0.094 local terms energy: -247.047257 where: bonds (distance) C4'-P energy: -65.156 bonds (distance) P-C4' energy: -58.515 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -40.489 tors. eta vs tors. theta energy: -30.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -405.217628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.217628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.217628 (E_RNA) where: Base-Base interactions energy: -210.303 where: short stacking energy: -122.468 Base-Backbone interact. energy: 0.316 local terms energy: -195.230960 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -51.620 flat angles C4'-P-C4' energy: -54.212 flat angles P-C4'-P energy: -20.351 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -280.294000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.294000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.294000 (E_RNA) where: Base-Base interactions energy: -84.579 where: short stacking energy: -67.486 Base-Backbone interact. energy: -0.462 local terms energy: -195.252280 where: bonds (distance) C4'-P energy: -52.959 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -52.768 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: 11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1246.077362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.077362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.077362 (E_RNA) where: Base-Base interactions energy: -874.232 where: short stacking energy: -341.613 Base-Backbone interact. energy: -2.733 local terms energy: -369.111850 where: bonds (distance) C4'-P energy: -74.474 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -79.733 flat angles P-C4'-P energy: -45.858 tors. eta vs tors. theta energy: -101.674 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1152.396424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.396424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.396424 (E_RNA) where: Base-Base interactions energy: -809.594 where: short stacking energy: -309.690 Base-Backbone interact. energy: -1.400 local terms energy: -341.402927 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -62.051 flat angles C4'-P-C4' energy: -74.293 flat angles P-C4'-P energy: -55.264 tors. eta vs tors. theta energy: -89.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1114.279132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.279132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.279132 (E_RNA) where: Base-Base interactions energy: -779.152 where: short stacking energy: -322.549 Base-Backbone interact. energy: -0.421 local terms energy: -334.706953 where: bonds (distance) C4'-P energy: -56.463 bonds (distance) P-C4' energy: -68.680 flat angles C4'-P-C4' energy: -70.029 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -96.992 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: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1058.143004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.143004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.143004 (E_RNA) where: Base-Base interactions energy: -731.633 where: short stacking energy: -304.237 Base-Backbone interact. energy: -0.645 local terms energy: -325.865263 where: bonds (distance) C4'-P energy: -61.181 bonds (distance) P-C4' energy: -51.077 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -52.577 tors. eta vs tors. theta energy: -88.891 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: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -963.077949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.077949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.077949 (E_RNA) where: Base-Base interactions energy: -665.984 where: short stacking energy: -291.547 Base-Backbone interact. energy: -1.334 local terms energy: -295.760504 where: bonds (distance) C4'-P energy: -49.052 bonds (distance) P-C4' energy: -49.564 flat angles C4'-P-C4' energy: -66.731 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: -86.247 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: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -962.640403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.640403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.640403 (E_RNA) where: Base-Base interactions energy: -658.079 where: short stacking energy: -262.023 Base-Backbone interact. energy: -1.928 local terms energy: -302.633314 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -65.420 flat angles C4'-P-C4' energy: -67.455 flat angles P-C4'-P energy: -44.351 tors. eta vs tors. theta energy: -63.880 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: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -771.956270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.956270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.956270 (E_RNA) where: Base-Base interactions energy: -510.344 where: short stacking energy: -225.640 Base-Backbone interact. energy: -1.851 local terms energy: -259.761297 where: bonds (distance) C4'-P energy: -56.438 bonds (distance) P-C4' energy: -55.684 flat angles C4'-P-C4' energy: -57.602 flat angles P-C4'-P energy: -34.081 tors. eta vs tors. theta energy: -55.957 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: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -579.480295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.480295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.480295 (E_RNA) where: Base-Base interactions energy: -369.991 where: short stacking energy: -168.433 Base-Backbone interact. energy: 2.535 local terms energy: -212.024478 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -52.791 flat angles C4'-P-C4' energy: -48.634 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: -27.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -416.731757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.731757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.731757 (E_RNA) where: Base-Base interactions energy: -235.571 where: short stacking energy: -147.261 Base-Backbone interact. energy: -0.347 local terms energy: -180.814090 where: bonds (distance) C4'-P energy: -61.446 bonds (distance) P-C4' energy: -47.105 flat angles C4'-P-C4' energy: -40.332 flat angles P-C4'-P energy: -29.087 tors. eta vs tors. theta energy: -2.844 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: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -275.457382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.457382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.457382 (E_RNA) where: Base-Base interactions energy: -119.766 where: short stacking energy: -93.763 Base-Backbone interact. energy: 3.912 local terms energy: -159.603088 where: bonds (distance) C4'-P energy: -42.222 bonds (distance) P-C4' energy: -48.405 flat angles C4'-P-C4' energy: -40.072 flat angles P-C4'-P energy: -36.457 tors. eta vs tors. theta energy: 7.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1209.949219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.949219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.949219 (E_RNA) where: Base-Base interactions energy: -861.966 where: short stacking energy: -311.087 Base-Backbone interact. energy: 0.956 local terms energy: -348.940114 where: bonds (distance) C4'-P energy: -68.986 bonds (distance) P-C4' energy: -72.786 flat angles C4'-P-C4' energy: -75.056 flat angles P-C4'-P energy: -43.509 tors. eta vs tors. theta energy: -88.603 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: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1149.945731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.945731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.945731 (E_RNA) where: Base-Base interactions energy: -805.664 where: short stacking energy: -313.456 Base-Backbone interact. energy: 0.576 local terms energy: -344.857620 where: bonds (distance) C4'-P energy: -56.864 bonds (distance) P-C4' energy: -73.929 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -94.979 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: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1116.950560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.950560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.950560 (E_RNA) where: Base-Base interactions energy: -783.580 where: short stacking energy: -295.295 Base-Backbone interact. energy: -2.290 local terms energy: -331.079934 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -65.586 flat angles C4'-P-C4' energy: -64.723 flat angles P-C4'-P energy: -47.775 tors. eta vs tors. theta energy: -90.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1089.566770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.566770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.566770 (E_RNA) where: Base-Base interactions energy: -771.852 where: short stacking energy: -292.242 Base-Backbone interact. energy: 1.409 local terms energy: -319.124004 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -69.768 flat angles P-C4'-P energy: -49.337 tors. eta vs tors. theta energy: -84.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1015.859917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.859917 (E_RNA) where: Base-Base interactions energy: -692.536 where: short stacking energy: -288.656 Base-Backbone interact. energy: -0.906 local terms energy: -322.418458 where: bonds (distance) C4'-P energy: -65.618 bonds (distance) P-C4' energy: -57.589 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: -90.745 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: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -974.034093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.034093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.034093 (E_RNA) where: Base-Base interactions energy: -682.418 where: short stacking energy: -280.613 Base-Backbone interact. energy: -0.152 local terms energy: -291.464098 where: bonds (distance) C4'-P energy: -36.413 bonds (distance) P-C4' energy: -60.916 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -90.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -815.807538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.807538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.807538 (E_RNA) where: Base-Base interactions energy: -534.750 where: short stacking energy: -241.628 Base-Backbone interact. energy: -1.098 local terms energy: -279.959173 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -56.576 flat angles C4'-P-C4' energy: -62.446 flat angles P-C4'-P energy: -31.869 tors. eta vs tors. theta energy: -71.314 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: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -616.950943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.950943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.950943 (E_RNA) where: Base-Base interactions energy: -402.966 where: short stacking energy: -199.282 Base-Backbone interact. energy: 2.277 local terms energy: -216.262570 where: bonds (distance) C4'-P energy: -52.874 bonds (distance) P-C4' energy: -48.837 flat angles C4'-P-C4' energy: -48.814 flat angles P-C4'-P energy: -27.167 tors. eta vs tors. theta energy: -38.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -445.932062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.932062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.932062 (E_RNA) where: Base-Base interactions energy: -229.206 where: short stacking energy: -113.436 Base-Backbone interact. energy: 1.514 local terms energy: -218.239816 where: bonds (distance) C4'-P energy: -42.545 bonds (distance) P-C4' energy: -71.537 flat angles C4'-P-C4' energy: -58.539 flat angles P-C4'-P energy: -36.997 tors. eta vs tors. theta energy: -8.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -263.603618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.603618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.603618 (E_RNA) where: Base-Base interactions energy: -102.994 where: short stacking energy: -57.805 Base-Backbone interact. energy: 4.753 local terms energy: -165.362784 where: bonds (distance) C4'-P energy: -42.390 bonds (distance) P-C4' energy: -58.397 flat angles C4'-P-C4' energy: -55.696 flat angles P-C4'-P energy: -21.986 tors. eta vs tors. theta energy: 13.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1222.288712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.288712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.288712 (E_RNA) where: Base-Base interactions energy: -886.496 where: short stacking energy: -335.920 Base-Backbone interact. energy: 0.406 local terms energy: -336.198636 where: bonds (distance) C4'-P energy: -64.860 bonds (distance) P-C4' energy: -52.968 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -48.505 tors. eta vs tors. theta energy: -88.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1147.211193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.211193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.211193 (E_RNA) where: Base-Base interactions energy: -798.170 where: short stacking energy: -292.781 Base-Backbone interact. energy: 1.097 local terms energy: -350.138920 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -72.612 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -54.454 tors. eta vs tors. theta energy: -88.916 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: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1111.870285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.870285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.870285 (E_RNA) where: Base-Base interactions energy: -781.450 where: short stacking energy: -306.957 Base-Backbone interact. energy: -1.539 local terms energy: -328.880713 where: bonds (distance) C4'-P energy: -69.466 bonds (distance) P-C4' energy: -60.312 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -89.624 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: 5 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1092.090701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.090701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.090701 (E_RNA) where: Base-Base interactions energy: -759.313 where: short stacking energy: -302.185 Base-Backbone interact. energy: 1.248 local terms energy: -334.025618 where: bonds (distance) C4'-P energy: -69.104 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -88.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -992.615534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.615534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.615534 (E_RNA) where: Base-Base interactions energy: -696.745 where: short stacking energy: -274.376 Base-Backbone interact. energy: -2.065 local terms energy: -293.805351 where: bonds (distance) C4'-P energy: -58.838 bonds (distance) P-C4' energy: -57.680 flat angles C4'-P-C4' energy: -65.260 flat angles P-C4'-P energy: -39.187 tors. eta vs tors. theta energy: -72.840 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: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -965.810577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.810577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.810577 (E_RNA) where: Base-Base interactions energy: -661.806 where: short stacking energy: -272.193 Base-Backbone interact. energy: -1.479 local terms energy: -302.525955 where: bonds (distance) C4'-P energy: -58.607 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -35.720 tors. eta vs tors. theta energy: -75.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -810.326804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.326804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.326804 (E_RNA) where: Base-Base interactions energy: -516.171 where: short stacking energy: -231.475 Base-Backbone interact. energy: -1.414 local terms energy: -292.742013 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -65.038 flat angles C4'-P-C4' energy: -71.581 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -57.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -653.170421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.170421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.170421 (E_RNA) where: Base-Base interactions energy: -417.823 where: short stacking energy: -209.069 Base-Backbone interact. energy: -0.816 local terms energy: -234.531780 where: bonds (distance) C4'-P energy: -44.946 bonds (distance) P-C4' energy: -53.911 flat angles C4'-P-C4' energy: -56.737 flat angles P-C4'-P energy: -30.706 tors. eta vs tors. theta energy: -48.232 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: 291 Temperature: 1.300000 Total energy: -421.442743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.442743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.442743 (E_RNA) where: Base-Base interactions energy: -222.906 where: short stacking energy: -131.848 Base-Backbone interact. energy: -0.245 local terms energy: -198.291475 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -48.591 flat angles C4'-P-C4' energy: -53.533 flat angles P-C4'-P energy: -33.224 tors. eta vs tors. theta energy: -8.662 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: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -268.390059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.390059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.390059 (E_RNA) where: Base-Base interactions energy: -102.250 where: short stacking energy: -58.837 Base-Backbone interact. energy: -2.441 local terms energy: -163.698346 where: bonds (distance) C4'-P energy: -44.398 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -50.109 flat angles P-C4'-P energy: -34.598 tors. eta vs tors. theta energy: 24.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1223.854670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.854670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.854670 (E_RNA) where: Base-Base interactions energy: -885.401 where: short stacking energy: -334.553 Base-Backbone interact. energy: 0.212 local terms energy: -338.665146 where: bonds (distance) C4'-P energy: -64.305 bonds (distance) P-C4' energy: -68.784 flat angles C4'-P-C4' energy: -65.128 flat angles P-C4'-P energy: -44.837 tors. eta vs tors. theta energy: -95.611 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: 292 Temperature: 0.950000 Total energy: -1161.172706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.172706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.172706 (E_RNA) where: Base-Base interactions energy: -809.214 where: short stacking energy: -325.149 Base-Backbone interact. energy: -2.024 local terms energy: -349.935168 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -68.097 flat angles C4'-P-C4' energy: -70.267 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -99.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1107.427346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.427346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.427346 (E_RNA) where: Base-Base interactions energy: -774.458 where: short stacking energy: -311.591 Base-Backbone interact. energy: -0.963 local terms energy: -332.006327 where: bonds (distance) C4'-P energy: -60.739 bonds (distance) P-C4' energy: -60.389 flat angles C4'-P-C4' energy: -70.324 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: -91.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1091.173363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.173363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.173363 (E_RNA) where: Base-Base interactions energy: -779.946 where: short stacking energy: -296.680 Base-Backbone interact. energy: 1.220 local terms energy: -312.447301 where: bonds (distance) C4'-P energy: -55.798 bonds (distance) P-C4' energy: -59.319 flat angles C4'-P-C4' energy: -67.813 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -78.869 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: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1012.949496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.949496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.949496 (E_RNA) where: Base-Base interactions energy: -695.196 where: short stacking energy: -281.925 Base-Backbone interact. energy: -1.711 local terms energy: -316.042681 where: bonds (distance) C4'-P energy: -61.082 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -48.363 tors. eta vs tors. theta energy: -80.714 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: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -954.435252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.435252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.435252 (E_RNA) where: Base-Base interactions energy: -658.081 where: short stacking energy: -275.313 Base-Backbone interact. energy: 0.936 local terms energy: -297.290316 where: bonds (distance) C4'-P energy: -52.751 bonds (distance) P-C4' energy: -61.976 flat angles C4'-P-C4' energy: -64.759 flat angles P-C4'-P energy: -40.003 tors. eta vs tors. theta energy: -77.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -779.022199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.022199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.022199 (E_RNA) where: Base-Base interactions energy: -484.864 where: short stacking energy: -219.798 Base-Backbone interact. energy: -1.301 local terms energy: -292.857578 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -60.361 flat angles P-C4'-P energy: -44.695 tors. eta vs tors. theta energy: -64.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -627.670764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.670764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.670764 (E_RNA) where: Base-Base interactions energy: -388.675 where: short stacking energy: -171.072 Base-Backbone interact. energy: -1.082 local terms energy: -237.913950 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -58.618 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -39.074 tors. eta vs tors. theta energy: -28.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -472.676842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.676842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.676842 (E_RNA) where: Base-Base interactions energy: -245.479 where: short stacking energy: -138.839 Base-Backbone interact. energy: -1.554 local terms energy: -225.644166 where: bonds (distance) C4'-P energy: -56.243 bonds (distance) P-C4' energy: -60.130 flat angles C4'-P-C4' energy: -60.984 flat angles P-C4'-P energy: -36.491 tors. eta vs tors. theta energy: -11.796 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: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -278.080933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.080933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.080933 (E_RNA) where: Base-Base interactions energy: -103.318 where: short stacking energy: -97.001 Base-Backbone interact. energy: -0.039 local terms energy: -174.723636 where: bonds (distance) C4'-P energy: -50.691 bonds (distance) P-C4' energy: -55.930 flat angles C4'-P-C4' energy: -48.919 flat angles P-C4'-P energy: -27.992 tors. eta vs tors. theta energy: 8.807 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: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1237.481797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.481797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.481797 (E_RNA) where: Base-Base interactions energy: -896.084 where: short stacking energy: -327.411 Base-Backbone interact. energy: -2.830 local terms energy: -338.567852 where: bonds (distance) C4'-P energy: -63.252 bonds (distance) P-C4' energy: -65.880 flat angles C4'-P-C4' energy: -76.356 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -88.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1131.401665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.401665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.401665 (E_RNA) where: Base-Base interactions energy: -784.258 where: short stacking energy: -317.765 Base-Backbone interact. energy: -0.275 local terms energy: -346.868539 where: bonds (distance) C4'-P energy: -57.773 bonds (distance) P-C4' energy: -73.749 flat angles C4'-P-C4' energy: -72.842 flat angles P-C4'-P energy: -44.669 tors. eta vs tors. theta energy: -97.835 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: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1124.510716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.510716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.510716 (E_RNA) where: Base-Base interactions energy: -776.707 where: short stacking energy: -297.916 Base-Backbone interact. energy: 0.192 local terms energy: -347.995702 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -96.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1090.732830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.732830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.732830 (E_RNA) where: Base-Base interactions energy: -761.735 where: short stacking energy: -283.219 Base-Backbone interact. energy: -4.225 local terms energy: -324.773430 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -56.827 flat angles C4'-P-C4' energy: -67.506 flat angles P-C4'-P energy: -51.718 tors. eta vs tors. theta energy: -79.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -992.207010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.207010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.207010 (E_RNA) where: Base-Base interactions energy: -670.440 where: short stacking energy: -253.387 Base-Backbone interact. energy: 3.255 local terms energy: -325.022710 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -69.234 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -74.820 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: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -914.788425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.788425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.788425 (E_RNA) where: Base-Base interactions energy: -602.728 where: short stacking energy: -256.463 Base-Backbone interact. energy: -0.711 local terms energy: -311.349092 where: bonds (distance) C4'-P energy: -65.858 bonds (distance) P-C4' energy: -54.377 flat angles C4'-P-C4' energy: -70.166 flat angles P-C4'-P energy: -46.591 tors. eta vs tors. theta energy: -74.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -783.491366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.491366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.491366 (E_RNA) where: Base-Base interactions energy: -504.676 where: short stacking energy: -235.242 Base-Backbone interact. energy: 1.492 local terms energy: -280.307696 where: bonds (distance) C4'-P energy: -55.858 bonds (distance) P-C4' energy: -61.952 flat angles C4'-P-C4' energy: -60.734 flat angles P-C4'-P energy: -39.210 tors. eta vs tors. theta energy: -62.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -622.162404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.162404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.162404 (E_RNA) where: Base-Base interactions energy: -394.491 where: short stacking energy: -162.116 Base-Backbone interact. energy: 0.369 local terms energy: -228.040449 where: bonds (distance) C4'-P energy: -47.081 bonds (distance) P-C4' energy: -66.920 flat angles C4'-P-C4' energy: -59.196 flat angles P-C4'-P energy: -33.959 tors. eta vs tors. theta energy: -20.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -422.021927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.021927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.021927 (E_RNA) where: Base-Base interactions energy: -225.239 where: short stacking energy: -128.459 Base-Backbone interact. energy: -2.369 local terms energy: -194.413864 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -48.470 flat angles C4'-P-C4' energy: -57.453 flat angles P-C4'-P energy: -25.168 tors. eta vs tors. theta energy: -9.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -303.596918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.596918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.596918 (E_RNA) where: Base-Base interactions energy: -116.540 where: short stacking energy: -71.499 Base-Backbone interact. energy: 4.721 local terms energy: -191.777775 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -49.864 flat angles P-C4'-P energy: -32.300 tors. eta vs tors. theta energy: 5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1236.443510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.443510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.443510 (E_RNA) where: Base-Base interactions energy: -897.731 where: short stacking energy: -340.906 Base-Backbone interact. energy: -2.322 local terms energy: -336.390426 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -69.118 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -92.597 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1129.067332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.067332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.067332 (E_RNA) where: Base-Base interactions energy: -787.230 where: short stacking energy: -325.863 Base-Backbone interact. energy: -1.012 local terms energy: -340.825346 where: bonds (distance) C4'-P energy: -69.504 bonds (distance) P-C4' energy: -61.176 flat angles C4'-P-C4' energy: -74.274 flat angles P-C4'-P energy: -45.020 tors. eta vs tors. theta energy: -90.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1122.631722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.631722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.631722 (E_RNA) where: Base-Base interactions energy: -798.763 where: short stacking energy: -295.008 Base-Backbone interact. energy: -0.945 local terms energy: -322.924484 where: bonds (distance) C4'-P energy: -57.615 bonds (distance) P-C4' energy: -54.161 flat angles C4'-P-C4' energy: -77.429 flat angles P-C4'-P energy: -39.557 tors. eta vs tors. theta energy: -94.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1086.519449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.519449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.519449 (E_RNA) where: Base-Base interactions energy: -780.665 where: short stacking energy: -295.072 Base-Backbone interact. energy: 1.544 local terms energy: -307.398237 where: bonds (distance) C4'-P energy: -46.574 bonds (distance) P-C4' energy: -62.138 flat angles C4'-P-C4' energy: -65.641 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -91.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -986.270242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.270242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.270242 (E_RNA) where: Base-Base interactions energy: -680.102 where: short stacking energy: -260.428 Base-Backbone interact. energy: -1.598 local terms energy: -304.569527 where: bonds (distance) C4'-P energy: -66.786 bonds (distance) P-C4' energy: -53.486 flat angles C4'-P-C4' energy: -67.223 flat angles P-C4'-P energy: -41.274 tors. eta vs tors. theta energy: -75.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -928.152264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.152264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.152264 (E_RNA) where: Base-Base interactions energy: -610.598 where: short stacking energy: -236.650 Base-Backbone interact. energy: -0.744 local terms energy: -316.809463 where: bonds (distance) C4'-P energy: -75.446 bonds (distance) P-C4' energy: -59.643 flat angles C4'-P-C4' energy: -62.486 flat angles P-C4'-P energy: -48.873 tors. eta vs tors. theta energy: -70.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -804.091288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.091288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.091288 (E_RNA) where: Base-Base interactions energy: -520.531 where: short stacking energy: -241.336 Base-Backbone interact. energy: 0.741 local terms energy: -284.300757 where: bonds (distance) C4'-P energy: -54.474 bonds (distance) P-C4' energy: -53.966 flat angles C4'-P-C4' energy: -60.114 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -69.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -590.392848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.392848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.392848 (E_RNA) where: Base-Base interactions energy: -359.438 where: short stacking energy: -187.200 Base-Backbone interact. energy: 4.890 local terms energy: -235.844405 where: bonds (distance) C4'-P energy: -64.152 bonds (distance) P-C4' energy: -45.939 flat angles C4'-P-C4' energy: -50.118 flat angles P-C4'-P energy: -34.472 tors. eta vs tors. theta energy: -41.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -459.837070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.837070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.837070 (E_RNA) where: Base-Base interactions energy: -245.236 where: short stacking energy: -131.019 Base-Backbone interact. energy: -0.456 local terms energy: -214.144632 where: bonds (distance) C4'-P energy: -58.448 bonds (distance) P-C4' energy: -53.207 flat angles C4'-P-C4' energy: -49.409 flat angles P-C4'-P energy: -33.858 tors. eta vs tors. theta energy: -19.223 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: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -265.187599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.187599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.187599 (E_RNA) where: Base-Base interactions energy: -78.012 where: short stacking energy: -72.181 Base-Backbone interact. energy: 3.627 local terms energy: -190.802525 where: bonds (distance) C4'-P energy: -61.138 bonds (distance) P-C4' energy: -61.646 flat angles C4'-P-C4' energy: -54.335 flat angles P-C4'-P energy: -17.698 tors. eta vs tors. theta energy: 4.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1225.526605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.526605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.526605 (E_RNA) where: Base-Base interactions energy: -895.393 where: short stacking energy: -336.091 Base-Backbone interact. energy: -2.451 local terms energy: -327.683508 where: bonds (distance) C4'-P energy: -62.641 bonds (distance) P-C4' energy: -54.679 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -95.907 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: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1140.125447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.125447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.125447 (E_RNA) where: Base-Base interactions energy: -798.057 where: short stacking energy: -321.240 Base-Backbone interact. energy: -1.540 local terms energy: -340.528041 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -58.850 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -48.253 tors. eta vs tors. theta energy: -95.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1116.936264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.936264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.936264 (E_RNA) where: Base-Base interactions energy: -777.067 where: short stacking energy: -307.866 Base-Backbone interact. energy: -1.017 local terms energy: -338.852663 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -68.646 flat angles C4'-P-C4' energy: -67.843 flat angles P-C4'-P energy: -46.556 tors. eta vs tors. theta energy: -93.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1088.740132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.740132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.740132 (E_RNA) where: Base-Base interactions energy: -765.239 where: short stacking energy: -313.898 Base-Backbone interact. energy: -1.379 local terms energy: -322.122075 where: bonds (distance) C4'-P energy: -59.445 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -70.879 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -79.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1012.413692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.413692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.413692 (E_RNA) where: Base-Base interactions energy: -713.347 where: short stacking energy: -265.839 Base-Backbone interact. energy: 0.804 local terms energy: -299.870170 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -54.241 flat angles C4'-P-C4' energy: -63.947 flat angles P-C4'-P energy: -46.247 tors. eta vs tors. theta energy: -77.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -920.048664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.048664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.048664 (E_RNA) where: Base-Base interactions energy: -636.049 where: short stacking energy: -249.323 Base-Backbone interact. energy: -1.630 local terms energy: -282.369307 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -58.340 flat angles C4'-P-C4' energy: -57.893 flat angles P-C4'-P energy: -43.809 tors. eta vs tors. theta energy: -59.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -812.746459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.746459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.746459 (E_RNA) where: Base-Base interactions energy: -522.470 where: short stacking energy: -225.829 Base-Backbone interact. energy: -1.499 local terms energy: -288.777457 where: bonds (distance) C4'-P energy: -49.876 bonds (distance) P-C4' energy: -65.195 flat angles C4'-P-C4' energy: -63.127 flat angles P-C4'-P energy: -35.424 tors. eta vs tors. theta energy: -75.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -602.703831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.703831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.703831 (E_RNA) where: Base-Base interactions energy: -362.694 where: short stacking energy: -175.412 Base-Backbone interact. energy: 2.346 local terms energy: -242.355863 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -64.070 flat angles P-C4'-P energy: -25.025 tors. eta vs tors. theta energy: -37.935 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: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -401.112428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.112428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.112428 (E_RNA) where: Base-Base interactions energy: -217.712 where: short stacking energy: -82.680 Base-Backbone interact. energy: -2.647 local terms energy: -180.753768 where: bonds (distance) C4'-P energy: -55.395 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -47.116 flat angles P-C4'-P energy: -32.690 tors. eta vs tors. theta energy: 10.672 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: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -264.682802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.682802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.682802 (E_RNA) where: Base-Base interactions energy: -85.870 where: short stacking energy: -71.126 Base-Backbone interact. energy: 5.126 local terms energy: -183.939345 where: bonds (distance) C4'-P energy: -65.227 bonds (distance) P-C4' energy: -52.567 flat angles C4'-P-C4' energy: -47.267 flat angles P-C4'-P energy: -30.008 tors. eta vs tors. theta energy: 11.129 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: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1231.182736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.182736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.182736 (E_RNA) where: Base-Base interactions energy: -883.767 where: short stacking energy: -337.251 Base-Backbone interact. energy: 1.114 local terms energy: -348.529469 where: bonds (distance) C4'-P energy: -67.735 bonds (distance) P-C4' energy: -71.525 flat angles C4'-P-C4' energy: -70.239 flat angles P-C4'-P energy: -40.297 tors. eta vs tors. theta energy: -98.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1148.685101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.685101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.685101 (E_RNA) where: Base-Base interactions energy: -811.495 where: short stacking energy: -331.872 Base-Backbone interact. energy: -3.408 local terms energy: -333.781898 where: bonds (distance) C4'-P energy: -53.464 bonds (distance) P-C4' energy: -60.850 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -49.318 tors. eta vs tors. theta energy: -98.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1133.850934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.850934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.850934 (E_RNA) where: Base-Base interactions energy: -784.082 where: short stacking energy: -313.636 Base-Backbone interact. energy: -1.274 local terms energy: -348.494914 where: bonds (distance) C4'-P energy: -56.978 bonds (distance) P-C4' energy: -71.080 flat angles C4'-P-C4' energy: -72.008 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -94.893 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: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1087.755710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.755710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.755710 (E_RNA) where: Base-Base interactions energy: -768.341 where: short stacking energy: -297.141 Base-Backbone interact. energy: -1.346 local terms energy: -318.068726 where: bonds (distance) C4'-P energy: -58.571 bonds (distance) P-C4' energy: -62.823 flat angles C4'-P-C4' energy: -64.388 flat angles P-C4'-P energy: -44.400 tors. eta vs tors. theta energy: -87.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1043.138103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.138103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.138103 (E_RNA) where: Base-Base interactions energy: -730.390 where: short stacking energy: -264.178 Base-Backbone interact. energy: -2.405 local terms energy: -310.343135 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -61.308 flat angles P-C4'-P energy: -39.819 tors. eta vs tors. theta energy: -85.864 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: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -899.548120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.548120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.548120 (E_RNA) where: Base-Base interactions energy: -603.442 where: short stacking energy: -229.092 Base-Backbone interact. energy: -0.677 local terms energy: -295.429159 where: bonds (distance) C4'-P energy: -63.262 bonds (distance) P-C4' energy: -61.168 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -39.874 tors. eta vs tors. theta energy: -59.789 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: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -778.449919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.449919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.449919 (E_RNA) where: Base-Base interactions energy: -505.732 where: short stacking energy: -209.310 Base-Backbone interact. energy: 1.097 local terms energy: -273.815171 where: bonds (distance) C4'-P energy: -60.397 bonds (distance) P-C4' energy: -53.067 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -41.974 tors. eta vs tors. theta energy: -57.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -558.900204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.900204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.900204 (E_RNA) where: Base-Base interactions energy: -330.305 where: short stacking energy: -168.854 Base-Backbone interact. energy: -0.998 local terms energy: -227.597553 where: bonds (distance) C4'-P energy: -51.009 bonds (distance) P-C4' energy: -60.579 flat angles C4'-P-C4' energy: -53.785 flat angles P-C4'-P energy: -36.041 tors. eta vs tors. theta energy: -26.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -413.669004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.669004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.669004 (E_RNA) where: Base-Base interactions energy: -207.195 where: short stacking energy: -130.936 Base-Backbone interact. energy: 7.669 local terms energy: -214.143510 where: bonds (distance) C4'-P energy: -61.465 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -56.741 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: -8.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -266.147496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.147496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.147496 (E_RNA) where: Base-Base interactions energy: -70.159 where: short stacking energy: -57.706 Base-Backbone interact. energy: -1.544 local terms energy: -194.444487 where: bonds (distance) C4'-P energy: -56.294 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -54.661 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: 9.214 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: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1229.343135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.343135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.343135 (E_RNA) where: Base-Base interactions energy: -875.546 where: short stacking energy: -332.185 Base-Backbone interact. energy: 0.389 local terms energy: -354.186650 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: -95.258 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: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1156.858319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.858319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.858319 (E_RNA) where: Base-Base interactions energy: -820.431 where: short stacking energy: -313.887 Base-Backbone interact. energy: -1.524 local terms energy: -334.902719 where: bonds (distance) C4'-P energy: -60.795 bonds (distance) P-C4' energy: -55.180 flat angles C4'-P-C4' energy: -73.119 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -95.914 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: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1131.556798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.556798 (E_RNA) where: Base-Base interactions energy: -795.390 where: short stacking energy: -316.107 Base-Backbone interact. energy: 0.087 local terms energy: -336.253775 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -67.922 flat angles P-C4'-P energy: -49.526 tors. eta vs tors. theta energy: -96.238 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: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1110.621739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.621739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.621739 (E_RNA) where: Base-Base interactions energy: -782.117 where: short stacking energy: -305.014 Base-Backbone interact. energy: 1.935 local terms energy: -330.439439 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -65.540 flat angles C4'-P-C4' energy: -70.395 flat angles P-C4'-P energy: -44.328 tors. eta vs tors. theta energy: -90.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1005.377637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.377637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.377637 (E_RNA) where: Base-Base interactions energy: -702.163 where: short stacking energy: -270.743 Base-Backbone interact. energy: 0.386 local terms energy: -303.600622 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -45.100 flat angles C4'-P-C4' energy: -72.629 flat angles P-C4'-P energy: -47.087 tors. eta vs tors. theta energy: -74.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -888.113842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.113842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.113842 (E_RNA) where: Base-Base interactions energy: -610.866 where: short stacking energy: -239.453 Base-Backbone interact. energy: -0.997 local terms energy: -276.251102 where: bonds (distance) C4'-P energy: -45.559 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -67.921 flat angles P-C4'-P energy: -34.401 tors. eta vs tors. theta energy: -59.044 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: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -776.267030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.267030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.267030 (E_RNA) where: Base-Base interactions energy: -503.921 where: short stacking energy: -223.175 Base-Backbone interact. energy: -0.477 local terms energy: -271.868949 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -54.651 flat angles C4'-P-C4' energy: -58.819 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: -61.576 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: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -588.781280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.781280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.781280 (E_RNA) where: Base-Base interactions energy: -336.490 where: short stacking energy: -152.862 Base-Backbone interact. energy: 4.576 local terms energy: -256.867365 where: bonds (distance) C4'-P energy: -63.730 bonds (distance) P-C4' energy: -59.329 flat angles C4'-P-C4' energy: -65.249 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: -26.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -410.800159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.800159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.800159 (E_RNA) where: Base-Base interactions energy: -188.998 where: short stacking energy: -114.519 Base-Backbone interact. energy: 0.387 local terms energy: -222.189316 where: bonds (distance) C4'-P energy: -54.439 bonds (distance) P-C4' energy: -65.841 flat angles C4'-P-C4' energy: -57.144 flat angles P-C4'-P energy: -37.525 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -278.569344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.569344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.569344 (E_RNA) where: Base-Base interactions energy: -87.664 where: short stacking energy: -74.645 Base-Backbone interact. energy: 1.046 local terms energy: -191.951910 where: bonds (distance) C4'-P energy: -51.635 bonds (distance) P-C4' energy: -64.614 flat angles C4'-P-C4' energy: -44.815 flat angles P-C4'-P energy: -28.242 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: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1219.711295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.711295 (E_RNA) where: Base-Base interactions energy: -878.534 where: short stacking energy: -335.457 Base-Backbone interact. energy: -0.323 local terms energy: -340.854991 where: bonds (distance) C4'-P energy: -62.942 bonds (distance) P-C4' energy: -69.624 flat angles C4'-P-C4' energy: -71.029 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -92.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1150.149176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.149176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.149176 (E_RNA) where: Base-Base interactions energy: -810.986 where: short stacking energy: -319.450 Base-Backbone interact. energy: -0.885 local terms energy: -338.278370 where: bonds (distance) C4'-P energy: -59.573 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -68.640 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -95.783 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: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1133.809623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.809623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.809623 (E_RNA) where: Base-Base interactions energy: -783.619 where: short stacking energy: -311.169 Base-Backbone interact. energy: -2.956 local terms energy: -347.235147 where: bonds (distance) C4'-P energy: -68.403 bonds (distance) P-C4' energy: -66.030 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: -100.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1114.440987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.440987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.440987 (E_RNA) where: Base-Base interactions energy: -775.426 where: short stacking energy: -307.274 Base-Backbone interact. energy: -1.549 local terms energy: -337.465402 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -70.117 flat angles C4'-P-C4' energy: -72.792 flat angles P-C4'-P energy: -43.223 tors. eta vs tors. theta energy: -96.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1036.245052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.245052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.245052 (E_RNA) where: Base-Base interactions energy: -735.534 where: short stacking energy: -293.147 Base-Backbone interact. energy: -0.788 local terms energy: -299.923647 where: bonds (distance) C4'-P energy: -51.978 bonds (distance) P-C4' energy: -47.093 flat angles C4'-P-C4' energy: -70.518 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: -90.122 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: 6, replica: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -878.843674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.843674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.843674 (E_RNA) where: Base-Base interactions energy: -605.699 where: short stacking energy: -240.186 Base-Backbone interact. energy: -0.878 local terms energy: -272.267000 where: bonds (distance) C4'-P energy: -62.106 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -34.934 tors. eta vs tors. theta energy: -54.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -770.412365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.412365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.412365 (E_RNA) where: Base-Base interactions energy: -495.993 where: short stacking energy: -228.945 Base-Backbone interact. energy: 1.327 local terms energy: -275.745619 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -59.834 flat angles P-C4'-P energy: -43.929 tors. eta vs tors. theta energy: -60.231 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: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -577.407733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.407733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.407733 (E_RNA) where: Base-Base interactions energy: -342.969 where: short stacking energy: -160.378 Base-Backbone interact. energy: -0.502 local terms energy: -233.936090 where: bonds (distance) C4'-P energy: -58.228 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -47.602 flat angles P-C4'-P energy: -39.533 tors. eta vs tors. theta energy: -21.928 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: 298 Temperature: 1.300000 Total energy: -402.474267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.474267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.474267 (E_RNA) where: Base-Base interactions energy: -205.496 where: short stacking energy: -119.422 Base-Backbone interact. energy: -1.299 local terms energy: -195.679173 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -49.140 flat angles P-C4'-P energy: -29.383 tors. eta vs tors. theta energy: 0.024 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: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -367.084889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.084889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.084889 (E_RNA) where: Base-Base interactions energy: -188.340 where: short stacking energy: -88.655 Base-Backbone interact. energy: -0.215 local terms energy: -178.529612 where: bonds (distance) C4'-P energy: -49.315 bonds (distance) P-C4' energy: -49.517 flat angles C4'-P-C4' energy: -51.297 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: 5.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1219.095055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.095055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.095055 (E_RNA) where: Base-Base interactions energy: -869.021 where: short stacking energy: -334.364 Base-Backbone interact. energy: -1.557 local terms energy: -348.517449 where: bonds (distance) C4'-P energy: -66.947 bonds (distance) P-C4' energy: -67.640 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -41.188 tors. eta vs tors. theta energy: -99.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1137.107447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.107447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.107447 (E_RNA) where: Base-Base interactions energy: -796.939 where: short stacking energy: -314.897 Base-Backbone interact. energy: -2.237 local terms energy: -337.931611 where: bonds (distance) C4'-P energy: -66.610 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -46.128 tors. eta vs tors. theta energy: -91.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1135.256543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.256543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.256543 (E_RNA) where: Base-Base interactions energy: -793.184 where: short stacking energy: -307.374 Base-Backbone interact. energy: -1.575 local terms energy: -340.496990 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -68.138 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -92.302 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: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1084.163381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.163381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.163381 (E_RNA) where: Base-Base interactions energy: -764.391 where: short stacking energy: -300.944 Base-Backbone interact. energy: -1.627 local terms energy: -318.145585 where: bonds (distance) C4'-P energy: -60.254 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -56.981 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -88.082 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: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1053.498377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.498377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.498377 (E_RNA) where: Base-Base interactions energy: -748.398 where: short stacking energy: -294.728 Base-Backbone interact. energy: -1.982 local terms energy: -303.118982 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -54.090 flat angles C4'-P-C4' energy: -62.345 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: -85.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -917.071352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.071352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.071352 (E_RNA) where: Base-Base interactions energy: -636.043 where: short stacking energy: -243.074 Base-Backbone interact. energy: -1.527 local terms energy: -279.501743 where: bonds (distance) C4'-P energy: -42.103 bonds (distance) P-C4' energy: -56.903 flat angles C4'-P-C4' energy: -66.825 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -65.823 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: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -779.896385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.896385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.896385 (E_RNA) where: Base-Base interactions energy: -521.158 where: short stacking energy: -230.593 Base-Backbone interact. energy: 0.551 local terms energy: -259.289409 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -60.423 flat angles C4'-P-C4' energy: -56.483 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: -56.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -636.409340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.409340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.409340 (E_RNA) where: Base-Base interactions energy: -373.254 where: short stacking energy: -196.702 Base-Backbone interact. energy: 3.506 local terms energy: -266.661845 where: bonds (distance) C4'-P energy: -57.031 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -36.343 tors. eta vs tors. theta energy: -46.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -436.302848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.302848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.302848 (E_RNA) where: Base-Base interactions energy: -224.162 where: short stacking energy: -135.018 Base-Backbone interact. energy: 8.217 local terms energy: -220.357997 where: bonds (distance) C4'-P energy: -56.065 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -54.005 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -314.268583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.268583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.268583 (E_RNA) where: Base-Base interactions energy: -135.921 where: short stacking energy: -81.530 Base-Backbone interact. energy: -0.830 local terms energy: -177.517359 where: bonds (distance) C4'-P energy: -55.032 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -44.730 flat angles P-C4'-P energy: -20.249 tors. eta vs tors. theta energy: 7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1232.179770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.179770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.179770 (E_RNA) where: Base-Base interactions energy: -871.878 where: short stacking energy: -328.960 Base-Backbone interact. energy: 1.045 local terms energy: -361.346243 where: bonds (distance) C4'-P energy: -65.419 bonds (distance) P-C4' energy: -70.001 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -57.826 tors. eta vs tors. theta energy: -98.958 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: 300 Temperature: 0.950000 Total energy: -1137.557480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.557480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.557480 (E_RNA) where: Base-Base interactions energy: -800.011 where: short stacking energy: -317.036 Base-Backbone interact. energy: -1.419 local terms energy: -336.127475 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -77.509 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -90.492 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: 300 Temperature: 1.000000 Total energy: -1097.494349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.494349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.494349 (E_RNA) where: Base-Base interactions energy: -740.502 where: short stacking energy: -302.023 Base-Backbone interact. energy: -0.932 local terms energy: -356.059790 where: bonds (distance) C4'-P energy: -74.088 bonds (distance) P-C4' energy: -66.850 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -50.097 tors. eta vs tors. theta energy: -93.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1092.283536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.283536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.283536 (E_RNA) where: Base-Base interactions energy: -767.560 where: short stacking energy: -297.725 Base-Backbone interact. energy: 1.673 local terms energy: -326.395868 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -67.900 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -81.992 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: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1028.436736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.436736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.436736 (E_RNA) where: Base-Base interactions energy: -736.595 where: short stacking energy: -306.844 Base-Backbone interact. energy: -2.472 local terms energy: -289.369835 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -50.701 flat angles C4'-P-C4' energy: -68.756 flat angles P-C4'-P energy: -30.811 tors. eta vs tors. theta energy: -76.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -889.100244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.100244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.100244 (E_RNA) where: Base-Base interactions energy: -600.015 where: short stacking energy: -255.887 Base-Backbone interact. energy: -1.423 local terms energy: -287.662509 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -50.924 flat angles C4'-P-C4' energy: -69.716 flat angles P-C4'-P energy: -41.387 tors. eta vs tors. theta energy: -66.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -773.055335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.055335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.055335 (E_RNA) where: Base-Base interactions energy: -510.716 where: short stacking energy: -218.638 Base-Backbone interact. energy: 1.372 local terms energy: -263.712229 where: bonds (distance) C4'-P energy: -45.963 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -57.598 flat angles P-C4'-P energy: -45.598 tors. eta vs tors. theta energy: -56.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -583.134377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.134377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.134377 (E_RNA) where: Base-Base interactions energy: -343.201 where: short stacking energy: -159.173 Base-Backbone interact. energy: 1.077 local terms energy: -241.010218 where: bonds (distance) C4'-P energy: -52.462 bonds (distance) P-C4' energy: -71.663 flat angles C4'-P-C4' energy: -54.066 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: -25.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -395.664274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.664274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.664274 (E_RNA) where: Base-Base interactions energy: -211.837 where: short stacking energy: -114.868 Base-Backbone interact. energy: -0.444 local terms energy: -183.383680 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -50.793 flat angles C4'-P-C4' energy: -40.136 flat angles P-C4'-P energy: -18.365 tors. eta vs tors. theta energy: -0.041 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: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -360.226645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.226645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.226645 (E_RNA) where: Base-Base interactions energy: -186.004 where: short stacking energy: -89.559 Base-Backbone interact. energy: -0.375 local terms energy: -173.846903 where: bonds (distance) C4'-P energy: -50.833 bonds (distance) P-C4' energy: -53.256 flat angles C4'-P-C4' energy: -44.442 flat angles P-C4'-P energy: -32.831 tors. eta vs tors. theta energy: 7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1249.379471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.379471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.379471 (E_RNA) where: Base-Base interactions energy: -891.755 where: short stacking energy: -332.767 Base-Backbone interact. energy: -1.907 local terms energy: -355.718293 where: bonds (distance) C4'-P energy: -72.546 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: -98.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1152.830164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.830164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.830164 (E_RNA) where: Base-Base interactions energy: -804.485 where: short stacking energy: -330.332 Base-Backbone interact. energy: -0.922 local terms energy: -347.422605 where: bonds (distance) C4'-P energy: -58.574 bonds (distance) P-C4' energy: -65.021 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -47.903 tors. eta vs tors. theta energy: -101.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1123.791892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.791892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.791892 (E_RNA) where: Base-Base interactions energy: -786.122 where: short stacking energy: -299.786 Base-Backbone interact. energy: -0.403 local terms energy: -337.266750 where: bonds (distance) C4'-P energy: -61.964 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -74.222 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -96.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1110.594679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.594679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.594679 (E_RNA) where: Base-Base interactions energy: -781.509 where: short stacking energy: -307.058 Base-Backbone interact. energy: -1.878 local terms energy: -327.207175 where: bonds (distance) C4'-P energy: -57.546 bonds (distance) P-C4' energy: -61.926 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -56.134 tors. eta vs tors. theta energy: -82.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1004.392610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.392610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.392610 (E_RNA) where: Base-Base interactions energy: -691.260 where: short stacking energy: -248.366 Base-Backbone interact. energy: -4.086 local terms energy: -309.046549 where: bonds (distance) C4'-P energy: -53.014 bonds (distance) P-C4' energy: -69.551 flat angles C4'-P-C4' energy: -68.164 flat angles P-C4'-P energy: -50.058 tors. eta vs tors. theta energy: -68.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -900.839888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.839888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.839888 (E_RNA) where: Base-Base interactions energy: -621.966 where: short stacking energy: -272.121 Base-Backbone interact. energy: -1.997 local terms energy: -276.877414 where: bonds (distance) C4'-P energy: -49.513 bonds (distance) P-C4' energy: -57.099 flat angles C4'-P-C4' energy: -65.462 flat angles P-C4'-P energy: -34.796 tors. eta vs tors. theta energy: -70.008 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: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -744.063144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.063144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.063144 (E_RNA) where: Base-Base interactions energy: -469.497 where: short stacking energy: -208.516 Base-Backbone interact. energy: 0.959 local terms energy: -275.525088 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -54.453 flat angles C4'-P-C4' energy: -60.577 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -53.912 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: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -580.212156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.212156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.212156 (E_RNA) where: Base-Base interactions energy: -341.251 where: short stacking energy: -167.845 Base-Backbone interact. energy: 1.304 local terms energy: -240.265704 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -54.059 flat angles C4'-P-C4' energy: -58.751 flat angles P-C4'-P energy: -39.099 tors. eta vs tors. theta energy: -32.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -370.348890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.348890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.348890 (E_RNA) where: Base-Base interactions energy: -187.648 where: short stacking energy: -105.142 Base-Backbone interact. energy: -0.088 local terms energy: -182.612441 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -61.305 flat angles C4'-P-C4' energy: -47.507 flat angles P-C4'-P energy: -26.155 tors. eta vs tors. theta energy: 7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -390.163086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.163086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.163086 (E_RNA) where: Base-Base interactions energy: -200.118 where: short stacking energy: -100.739 Base-Backbone interact. energy: -0.886 local terms energy: -189.159831 where: bonds (distance) C4'-P energy: -55.979 bonds (distance) P-C4' energy: -61.103 flat angles C4'-P-C4' energy: -37.807 flat angles P-C4'-P energy: -31.955 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1230.716038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.716038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.716038 (E_RNA) where: Base-Base interactions energy: -877.131 where: short stacking energy: -328.174 Base-Backbone interact. energy: -1.820 local terms energy: -351.765087 where: bonds (distance) C4'-P energy: -64.451 bonds (distance) P-C4' energy: -77.134 flat angles C4'-P-C4' energy: -72.774 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -94.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1143.177608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.177608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.177608 (E_RNA) where: Base-Base interactions energy: -796.226 where: short stacking energy: -316.198 Base-Backbone interact. energy: -1.941 local terms energy: -345.010994 where: bonds (distance) C4'-P energy: -54.084 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -75.120 flat angles P-C4'-P energy: -47.909 tors. eta vs tors. theta energy: -100.350 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: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1117.289375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.289375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.289375 (E_RNA) where: Base-Base interactions energy: -762.030 where: short stacking energy: -318.340 Base-Backbone interact. energy: -1.234 local terms energy: -354.025930 where: bonds (distance) C4'-P energy: -75.363 bonds (distance) P-C4' energy: -57.121 flat angles C4'-P-C4' energy: -74.516 flat angles P-C4'-P energy: -48.806 tors. eta vs tors. theta energy: -98.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1105.342840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.342840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.342840 (E_RNA) where: Base-Base interactions energy: -775.471 where: short stacking energy: -293.108 Base-Backbone interact. energy: -0.636 local terms energy: -329.235709 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -54.458 flat angles C4'-P-C4' energy: -66.215 flat angles P-C4'-P energy: -52.008 tors. eta vs tors. theta energy: -94.233 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: 9 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1001.225350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.225350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.225350 (E_RNA) where: Base-Base interactions energy: -683.213 where: short stacking energy: -269.207 Base-Backbone interact. energy: -1.477 local terms energy: -316.535451 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -79.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -888.644109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.644109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.644109 (E_RNA) where: Base-Base interactions energy: -606.670 where: short stacking energy: -239.430 Base-Backbone interact. energy: -2.180 local terms energy: -279.793932 where: bonds (distance) C4'-P energy: -58.671 bonds (distance) P-C4' energy: -64.971 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: -56.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -748.377320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.377320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.377320 (E_RNA) where: Base-Base interactions energy: -494.660 where: short stacking energy: -214.534 Base-Backbone interact. energy: -1.245 local terms energy: -252.471866 where: bonds (distance) C4'-P energy: -48.922 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -55.013 flat angles P-C4'-P energy: -27.890 tors. eta vs tors. theta energy: -60.092 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: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -560.068520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.068520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.068520 (E_RNA) where: Base-Base interactions energy: -341.865 where: short stacking energy: -161.946 Base-Backbone interact. energy: -0.361 local terms energy: -217.842078 where: bonds (distance) C4'-P energy: -52.002 bonds (distance) P-C4' energy: -50.347 flat angles C4'-P-C4' energy: -49.871 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -27.563 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: 302 Temperature: 1.300000 Total energy: -391.945603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.945603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.945603 (E_RNA) where: Base-Base interactions energy: -181.597 where: short stacking energy: -93.540 Base-Backbone interact. energy: -1.328 local terms energy: -209.020573 where: bonds (distance) C4'-P energy: -55.358 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -55.354 flat angles P-C4'-P energy: -30.311 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -379.028816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.028816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.028816 (E_RNA) where: Base-Base interactions energy: -193.371 where: short stacking energy: -98.143 Base-Backbone interact. energy: -0.580 local terms energy: -185.078428 where: bonds (distance) C4'-P energy: -46.718 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -47.081 flat angles P-C4'-P energy: -31.561 tors. eta vs tors. theta energy: 4.521 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: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1233.486276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.486276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.486276 (E_RNA) where: Base-Base interactions energy: -879.806 where: short stacking energy: -326.994 Base-Backbone interact. energy: -3.476 local terms energy: -350.203954 where: bonds (distance) C4'-P energy: -61.037 bonds (distance) P-C4' energy: -72.208 flat angles C4'-P-C4' energy: -71.750 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -94.281 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: 303 Temperature: 0.950000 Total energy: -1138.607766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.607766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.607766 (E_RNA) where: Base-Base interactions energy: -803.257 where: short stacking energy: -322.788 Base-Backbone interact. energy: 2.027 local terms energy: -337.376931 where: bonds (distance) C4'-P energy: -59.910 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -58.161 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -98.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1114.614890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.614890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.614890 (E_RNA) where: Base-Base interactions energy: -785.867 where: short stacking energy: -319.013 Base-Backbone interact. energy: 1.683 local terms energy: -330.430752 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -57.954 flat angles C4'-P-C4' energy: -69.202 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -93.318 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: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1109.645884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.645884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.645884 (E_RNA) where: Base-Base interactions energy: -773.559 where: short stacking energy: -311.907 Base-Backbone interact. energy: -0.769 local terms energy: -335.317028 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -94.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1012.033936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.033936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.033936 (E_RNA) where: Base-Base interactions energy: -706.020 where: short stacking energy: -286.065 Base-Backbone interact. energy: 1.054 local terms energy: -307.067639 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -87.197 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: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -880.457034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.457034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.457034 (E_RNA) where: Base-Base interactions energy: -597.063 where: short stacking energy: -260.508 Base-Backbone interact. energy: 1.751 local terms energy: -285.145312 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -68.251 flat angles P-C4'-P energy: -36.517 tors. eta vs tors. theta energy: -59.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -810.257503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.257503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.257503 (E_RNA) where: Base-Base interactions energy: -551.946 where: short stacking energy: -251.051 Base-Backbone interact. energy: -0.662 local terms energy: -257.649493 where: bonds (distance) C4'-P energy: -47.135 bonds (distance) P-C4' energy: -48.484 flat angles C4'-P-C4' energy: -64.642 flat angles P-C4'-P energy: -32.057 tors. eta vs tors. theta energy: -65.333 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: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -586.018934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.018934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.018934 (E_RNA) where: Base-Base interactions energy: -347.702 where: short stacking energy: -144.022 Base-Backbone interact. energy: -1.859 local terms energy: -236.458100 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -59.442 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -37.232 tors. eta vs tors. theta energy: -22.277 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: 2 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -439.070860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.070860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.070860 (E_RNA) where: Base-Base interactions energy: -242.526 where: short stacking energy: -123.064 Base-Backbone interact. energy: -1.469 local terms energy: -195.076263 where: bonds (distance) C4'-P energy: -55.960 bonds (distance) P-C4' energy: -46.193 flat angles C4'-P-C4' energy: -52.122 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: -5.271 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: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -356.917204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.917204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.917204 (E_RNA) where: Base-Base interactions energy: -175.944 where: short stacking energy: -95.249 Base-Backbone interact. energy: 2.486 local terms energy: -183.459318 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -54.109 flat angles P-C4'-P energy: -22.785 tors. eta vs tors. theta energy: 4.807 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: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1230.909679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.909679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.909679 (E_RNA) where: Base-Base interactions energy: -889.913 where: short stacking energy: -319.777 Base-Backbone interact. energy: 0.621 local terms energy: -341.617432 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -74.405 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -92.208 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: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1132.370934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.370934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.370934 (E_RNA) where: Base-Base interactions energy: -784.746 where: short stacking energy: -311.201 Base-Backbone interact. energy: -0.477 local terms energy: -347.148189 where: bonds (distance) C4'-P energy: -68.667 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -74.368 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -100.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1153.240206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.240206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.240206 (E_RNA) where: Base-Base interactions energy: -824.969 where: short stacking energy: -312.108 Base-Backbone interact. energy: 0.042 local terms energy: -328.312824 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -67.362 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: -98.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1106.712029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.712029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.712029 (E_RNA) where: Base-Base interactions energy: -776.388 where: short stacking energy: -321.979 Base-Backbone interact. energy: -0.819 local terms energy: -329.504585 where: bonds (distance) C4'-P energy: -68.116 bonds (distance) P-C4' energy: -60.443 flat angles C4'-P-C4' energy: -62.613 flat angles P-C4'-P energy: -46.331 tors. eta vs tors. theta energy: -92.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1016.174350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.174350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.174350 (E_RNA) where: Base-Base interactions energy: -720.868 where: short stacking energy: -292.581 Base-Backbone interact. energy: -2.647 local terms energy: -292.659098 where: bonds (distance) C4'-P energy: -57.410 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -58.088 flat angles P-C4'-P energy: -40.800 tors. eta vs tors. theta energy: -78.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -872.388673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.388673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.388673 (E_RNA) where: Base-Base interactions energy: -586.203 where: short stacking energy: -244.513 Base-Backbone interact. energy: 1.293 local terms energy: -287.478517 where: bonds (distance) C4'-P energy: -54.010 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -60.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -800.439126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.439126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.439126 (E_RNA) where: Base-Base interactions energy: -526.704 where: short stacking energy: -244.594 Base-Backbone interact. energy: 0.088 local terms energy: -273.822613 where: bonds (distance) C4'-P energy: -51.718 bonds (distance) P-C4' energy: -49.541 flat angles C4'-P-C4' energy: -53.075 flat angles P-C4'-P energy: -45.210 tors. eta vs tors. theta energy: -74.279 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: 304 Temperature: 1.250000 Total energy: -586.990208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.990208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.990208 (E_RNA) where: Base-Base interactions energy: -351.040 where: short stacking energy: -151.864 Base-Backbone interact. energy: -1.235 local terms energy: -234.714922 where: bonds (distance) C4'-P energy: -41.616 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -39.652 tors. eta vs tors. theta energy: -31.106 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: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -432.513829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.513829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.513829 (E_RNA) where: Base-Base interactions energy: -219.724 where: short stacking energy: -100.028 Base-Backbone interact. energy: -0.559 local terms energy: -212.230918 where: bonds (distance) C4'-P energy: -59.463 bonds (distance) P-C4' energy: -57.659 flat angles C4'-P-C4' energy: -52.685 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -398.006944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.006944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.006944 (E_RNA) where: Base-Base interactions energy: -226.949 where: short stacking energy: -121.563 Base-Backbone interact. energy: -0.388 local terms energy: -170.669500 where: bonds (distance) C4'-P energy: -38.470 bonds (distance) P-C4' energy: -58.649 flat angles C4'-P-C4' energy: -46.656 flat angles P-C4'-P energy: -19.163 tors. eta vs tors. theta energy: -7.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1244.041733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.041733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.041733 (E_RNA) where: Base-Base interactions energy: -899.397 where: short stacking energy: -334.398 Base-Backbone interact. energy: -2.540 local terms energy: -342.103805 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -60.505 flat angles C4'-P-C4' energy: -74.058 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -98.281 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: 305 Temperature: 0.950000 Total energy: -1124.141478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.141478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.141478 (E_RNA) where: Base-Base interactions energy: -800.534 where: short stacking energy: -308.345 Base-Backbone interact. energy: -1.725 local terms energy: -321.883018 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -67.863 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -91.415 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: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1135.884320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.884320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.884320 (E_RNA) where: Base-Base interactions energy: -812.845 where: short stacking energy: -294.766 Base-Backbone interact. energy: 0.458 local terms energy: -323.497977 where: bonds (distance) C4'-P energy: -57.888 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -66.828 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -90.523 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: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1078.954878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.954878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.954878 (E_RNA) where: Base-Base interactions energy: -737.808 where: short stacking energy: -300.194 Base-Backbone interact. energy: -2.630 local terms energy: -338.516324 where: bonds (distance) C4'-P energy: -68.175 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -95.658 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: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1032.034704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.034704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.034704 (E_RNA) where: Base-Base interactions energy: -712.317 where: short stacking energy: -274.506 Base-Backbone interact. energy: -1.980 local terms energy: -317.737607 where: bonds (distance) C4'-P energy: -58.284 bonds (distance) P-C4' energy: -56.668 flat angles C4'-P-C4' energy: -70.271 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -86.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -890.396359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.396359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.396359 (E_RNA) where: Base-Base interactions energy: -606.241 where: short stacking energy: -236.709 Base-Backbone interact. energy: 1.327 local terms energy: -285.482461 where: bonds (distance) C4'-P energy: -49.906 bonds (distance) P-C4' energy: -59.088 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -41.963 tors. eta vs tors. theta energy: -64.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -772.735247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.735247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.735247 (E_RNA) where: Base-Base interactions energy: -492.348 where: short stacking energy: -205.259 Base-Backbone interact. energy: -0.255 local terms energy: -280.132037 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -51.007 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -41.287 tors. eta vs tors. theta energy: -55.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -598.307444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.307444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.307444 (E_RNA) where: Base-Base interactions energy: -377.373 where: short stacking energy: -177.125 Base-Backbone interact. energy: -0.599 local terms energy: -220.335035 where: bonds (distance) C4'-P energy: -42.878 bonds (distance) P-C4' energy: -50.451 flat angles C4'-P-C4' energy: -55.078 flat angles P-C4'-P energy: -36.132 tors. eta vs tors. theta energy: -35.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -400.516616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.516616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.516616 (E_RNA) where: Base-Base interactions energy: -200.659 where: short stacking energy: -122.006 Base-Backbone interact. energy: -1.583 local terms energy: -198.273728 where: bonds (distance) C4'-P energy: -53.453 bonds (distance) P-C4' energy: -53.280 flat angles C4'-P-C4' energy: -59.168 flat angles P-C4'-P energy: -21.676 tors. eta vs tors. theta energy: -10.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -383.350485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.350485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.350485 (E_RNA) where: Base-Base interactions energy: -193.958 where: short stacking energy: -118.763 Base-Backbone interact. energy: -0.860 local terms energy: -188.532943 where: bonds (distance) C4'-P energy: -39.430 bonds (distance) P-C4' energy: -53.841 flat angles C4'-P-C4' energy: -51.235 flat angles P-C4'-P energy: -28.775 tors. eta vs tors. theta energy: -15.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1229.638894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.638894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.638894 (E_RNA) where: Base-Base interactions energy: -875.248 where: short stacking energy: -325.456 Base-Backbone interact. energy: -1.434 local terms energy: -352.956203 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -72.233 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -94.147 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: 306 Temperature: 0.950000 Total energy: -1170.669023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.669023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.669023 (E_RNA) where: Base-Base interactions energy: -828.243 where: short stacking energy: -310.967 Base-Backbone interact. energy: -2.439 local terms energy: -339.987257 where: bonds (distance) C4'-P energy: -61.583 bonds (distance) P-C4' energy: -68.452 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: -93.015 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: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1136.534938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.534938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.534938 (E_RNA) where: Base-Base interactions energy: -804.195 where: short stacking energy: -303.482 Base-Backbone interact. energy: -1.217 local terms energy: -331.122863 where: bonds (distance) C4'-P energy: -53.852 bonds (distance) P-C4' energy: -70.660 flat angles C4'-P-C4' energy: -68.350 flat angles P-C4'-P energy: -47.951 tors. eta vs tors. theta energy: -90.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1096.500038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.500038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.500038 (E_RNA) where: Base-Base interactions energy: -775.901 where: short stacking energy: -323.531 Base-Backbone interact. energy: 0.546 local terms energy: -321.145001 where: bonds (distance) C4'-P energy: -45.169 bonds (distance) P-C4' energy: -66.401 flat angles C4'-P-C4' energy: -69.253 flat angles P-C4'-P energy: -43.076 tors. eta vs tors. theta energy: -97.246 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -999.615015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.615015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.615015 (E_RNA) where: Base-Base interactions energy: -704.910 where: short stacking energy: -280.437 Base-Backbone interact. energy: -0.883 local terms energy: -293.821881 where: bonds (distance) C4'-P energy: -53.507 bonds (distance) P-C4' energy: -51.073 flat angles C4'-P-C4' energy: -60.196 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: -85.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -891.516520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.516520 (E_RNA) where: Base-Base interactions energy: -579.229 where: short stacking energy: -250.518 Base-Backbone interact. energy: -1.046 local terms energy: -311.241315 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -68.015 flat angles C4'-P-C4' energy: -61.266 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -71.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -786.606864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.606864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.606864 (E_RNA) where: Base-Base interactions energy: -507.928 where: short stacking energy: -221.919 Base-Backbone interact. energy: 0.522 local terms energy: -279.200747 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -63.663 flat angles P-C4'-P energy: -33.843 tors. eta vs tors. theta energy: -58.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -581.722042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.722042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.722042 (E_RNA) where: Base-Base interactions energy: -346.402 where: short stacking energy: -172.000 Base-Backbone interact. energy: 0.486 local terms energy: -235.805966 where: bonds (distance) C4'-P energy: -49.611 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -61.767 flat angles P-C4'-P energy: -38.834 tors. eta vs tors. theta energy: -29.970 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: 2 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -406.398676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.398676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.398676 (E_RNA) where: Base-Base interactions energy: -192.382 where: short stacking energy: -112.334 Base-Backbone interact. energy: -0.753 local terms energy: -213.263402 where: bonds (distance) C4'-P energy: -56.726 bonds (distance) P-C4' energy: -54.218 flat angles C4'-P-C4' energy: -51.931 flat angles P-C4'-P energy: -38.801 tors. eta vs tors. theta energy: -11.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -372.674965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.674965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.674965 (E_RNA) where: Base-Base interactions energy: -192.470 where: short stacking energy: -107.332 Base-Backbone interact. energy: -2.317 local terms energy: -177.888108 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -53.414 flat angles C4'-P-C4' energy: -43.945 flat angles P-C4'-P energy: -34.696 tors. eta vs tors. theta energy: 12.050 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: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1239.056482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.056482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.056482 (E_RNA) where: Base-Base interactions energy: -906.123 where: short stacking energy: -331.606 Base-Backbone interact. energy: 1.247 local terms energy: -334.180128 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -74.575 flat angles P-C4'-P energy: -41.542 tors. eta vs tors. theta energy: -93.015 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: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1152.140547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.140547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.140547 (E_RNA) where: Base-Base interactions energy: -827.746 where: short stacking energy: -310.761 Base-Backbone interact. energy: -1.393 local terms energy: -323.001228 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -58.475 flat angles C4'-P-C4' energy: -71.894 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: -87.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1130.690751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.690751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.690751 (E_RNA) where: Base-Base interactions energy: -792.070 where: short stacking energy: -312.702 Base-Backbone interact. energy: -0.898 local terms energy: -337.723405 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -64.534 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -89.322 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: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1084.528209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.528209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.528209 (E_RNA) where: Base-Base interactions energy: -751.950 where: short stacking energy: -310.823 Base-Backbone interact. energy: 1.187 local terms energy: -333.765133 where: bonds (distance) C4'-P energy: -54.213 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -77.903 flat angles P-C4'-P energy: -45.306 tors. eta vs tors. theta energy: -94.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -972.163739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.163739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.163739 (E_RNA) where: Base-Base interactions energy: -673.758 where: short stacking energy: -274.479 Base-Backbone interact. energy: -1.605 local terms energy: -296.800374 where: bonds (distance) C4'-P energy: -47.269 bonds (distance) P-C4' energy: -52.794 flat angles C4'-P-C4' energy: -67.286 flat angles P-C4'-P energy: -54.720 tors. eta vs tors. theta energy: -74.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -880.420182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.420182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.420182 (E_RNA) where: Base-Base interactions energy: -600.411 where: short stacking energy: -237.192 Base-Backbone interact. energy: -0.009 local terms energy: -280.000123 where: bonds (distance) C4'-P energy: -51.757 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -63.383 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: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -772.694309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.694309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.694309 (E_RNA) where: Base-Base interactions energy: -480.585 where: short stacking energy: -215.713 Base-Backbone interact. energy: 0.864 local terms energy: -292.973366 where: bonds (distance) C4'-P energy: -62.382 bonds (distance) P-C4' energy: -66.507 flat angles C4'-P-C4' energy: -64.345 flat angles P-C4'-P energy: -46.037 tors. eta vs tors. theta energy: -53.702 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: 307 Temperature: 1.250000 Total energy: -616.194531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.194531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.194531 (E_RNA) where: Base-Base interactions energy: -371.440 where: short stacking energy: -182.046 Base-Backbone interact. energy: -2.729 local terms energy: -242.025274 where: bonds (distance) C4'-P energy: -52.700 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -52.335 flat angles P-C4'-P energy: -43.749 tors. eta vs tors. theta energy: -37.791 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: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -470.401166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.401166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.401166 (E_RNA) where: Base-Base interactions energy: -274.682 where: short stacking energy: -142.488 Base-Backbone interact. energy: 3.126 local terms energy: -198.845015 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -44.605 flat angles C4'-P-C4' energy: -62.838 flat angles P-C4'-P energy: -20.534 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -386.921721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.921721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.921721 (E_RNA) where: Base-Base interactions energy: -176.288 where: short stacking energy: -108.052 Base-Backbone interact. energy: -0.565 local terms energy: -210.068334 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -55.914 flat angles C4'-P-C4' energy: -47.839 flat angles P-C4'-P energy: -30.588 tors. eta vs tors. theta energy: -18.448 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: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1244.955138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.955138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.955138 (E_RNA) where: Base-Base interactions energy: -915.027 where: short stacking energy: -322.055 Base-Backbone interact. energy: -0.149 local terms energy: -329.779241 where: bonds (distance) C4'-P energy: -68.613 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -85.030 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: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1145.931396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.931396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.931396 (E_RNA) where: Base-Base interactions energy: -807.941 where: short stacking energy: -307.409 Base-Backbone interact. energy: -2.753 local terms energy: -335.237111 where: bonds (distance) C4'-P energy: -60.373 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -72.574 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -94.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1133.180299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.180299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.180299 (E_RNA) where: Base-Base interactions energy: -797.919 where: short stacking energy: -318.028 Base-Backbone interact. energy: 0.096 local terms energy: -335.357385 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -61.502 flat angles C4'-P-C4' energy: -72.764 flat angles P-C4'-P energy: -48.334 tors. eta vs tors. theta energy: -90.393 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: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1039.587068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.587068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.587068 (E_RNA) where: Base-Base interactions energy: -721.003 where: short stacking energy: -296.831 Base-Backbone interact. energy: -1.055 local terms energy: -317.528404 where: bonds (distance) C4'-P energy: -56.678 bonds (distance) P-C4' energy: -61.019 flat angles C4'-P-C4' energy: -66.354 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: -86.882 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: 9 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -976.888003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.888003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.888003 (E_RNA) where: Base-Base interactions energy: -679.972 where: short stacking energy: -289.415 Base-Backbone interact. energy: -1.935 local terms energy: -294.981189 where: bonds (distance) C4'-P energy: -53.363 bonds (distance) P-C4' energy: -56.499 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -75.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -896.498830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.498830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.498830 (E_RNA) where: Base-Base interactions energy: -598.348 where: short stacking energy: -244.693 Base-Backbone interact. energy: -0.435 local terms energy: -297.716039 where: bonds (distance) C4'-P energy: -61.717 bonds (distance) P-C4' energy: -54.277 flat angles C4'-P-C4' energy: -61.065 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -743.906188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.906188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.906188 (E_RNA) where: Base-Base interactions energy: -468.404 where: short stacking energy: -215.425 Base-Backbone interact. energy: -0.516 local terms energy: -274.986331 where: bonds (distance) C4'-P energy: -60.532 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -58.348 flat angles P-C4'-P energy: -39.499 tors. eta vs tors. theta energy: -54.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -580.166028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.166028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.166028 (E_RNA) where: Base-Base interactions energy: -369.133 where: short stacking energy: -173.904 Base-Backbone interact. energy: 0.265 local terms energy: -211.298380 where: bonds (distance) C4'-P energy: -54.976 bonds (distance) P-C4' energy: -58.081 flat angles C4'-P-C4' energy: -42.363 flat angles P-C4'-P energy: -27.382 tors. eta vs tors. theta energy: -28.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -483.744194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.744194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.744194 (E_RNA) where: Base-Base interactions energy: -272.238 where: short stacking energy: -136.645 Base-Backbone interact. energy: -0.749 local terms energy: -210.756908 where: bonds (distance) C4'-P energy: -59.724 bonds (distance) P-C4' energy: -47.750 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -29.051 tors. eta vs tors. theta energy: -20.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -427.075319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.075319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.075319 (E_RNA) where: Base-Base interactions energy: -212.665 where: short stacking energy: -103.337 Base-Backbone interact. energy: -0.951 local terms energy: -213.459517 where: bonds (distance) C4'-P energy: -55.495 bonds (distance) P-C4' energy: -65.140 flat angles C4'-P-C4' energy: -51.914 flat angles P-C4'-P energy: -31.447 tors. eta vs tors. theta energy: -9.464 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: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1235.511559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.511559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.511559 (E_RNA) where: Base-Base interactions energy: -875.696 where: short stacking energy: -331.807 Base-Backbone interact. energy: -1.264 local terms energy: -358.551356 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -75.154 flat angles C4'-P-C4' energy: -80.684 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -95.454 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1161.851653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.851653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.851653 (E_RNA) where: Base-Base interactions energy: -796.144 where: short stacking energy: -318.657 Base-Backbone interact. energy: -0.092 local terms energy: -365.615875 where: bonds (distance) C4'-P energy: -69.672 bonds (distance) P-C4' energy: -72.618 flat angles C4'-P-C4' energy: -78.061 flat angles P-C4'-P energy: -50.112 tors. eta vs tors. theta energy: -95.153 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: 309 Temperature: 1.000000 Total energy: -1128.397086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.397086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.397086 (E_RNA) where: Base-Base interactions energy: -789.365 where: short stacking energy: -295.443 Base-Backbone interact. energy: 3.184 local terms energy: -342.216288 where: bonds (distance) C4'-P energy: -63.572 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -95.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1040.478589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.478589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.478589 (E_RNA) where: Base-Base interactions energy: -711.728 where: short stacking energy: -314.189 Base-Backbone interact. energy: -1.327 local terms energy: -327.423370 where: bonds (distance) C4'-P energy: -64.682 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -36.788 tors. eta vs tors. theta energy: -93.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -966.283204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.283204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.283204 (E_RNA) where: Base-Base interactions energy: -694.829 where: short stacking energy: -283.178 Base-Backbone interact. energy: -0.389 local terms energy: -271.065574 where: bonds (distance) C4'-P energy: -51.552 bonds (distance) P-C4' energy: -51.298 flat angles C4'-P-C4' energy: -56.991 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: -75.122 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: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -899.074142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.074142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.074142 (E_RNA) where: Base-Base interactions energy: -599.946 where: short stacking energy: -260.907 Base-Backbone interact. energy: 0.091 local terms energy: -299.219750 where: bonds (distance) C4'-P energy: -55.832 bonds (distance) P-C4' energy: -45.935 flat angles C4'-P-C4' energy: -74.657 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -74.469 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: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -756.747994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.747994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.747994 (E_RNA) where: Base-Base interactions energy: -492.998 where: short stacking energy: -207.766 Base-Backbone interact. energy: 1.059 local terms energy: -264.808445 where: bonds (distance) C4'-P energy: -63.486 bonds (distance) P-C4' energy: -60.166 flat angles C4'-P-C4' energy: -60.371 flat angles P-C4'-P energy: -30.951 tors. eta vs tors. theta energy: -49.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -508.520892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.520892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.520892 (E_RNA) where: Base-Base interactions energy: -277.775 where: short stacking energy: -152.837 Base-Backbone interact. energy: -0.962 local terms energy: -229.783712 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -61.218 flat angles C4'-P-C4' energy: -53.365 flat angles P-C4'-P energy: -33.047 tors. eta vs tors. theta energy: -26.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -552.612978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.612978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.612978 (E_RNA) where: Base-Base interactions energy: -335.169 where: short stacking energy: -145.811 Base-Backbone interact. energy: 1.690 local terms energy: -219.134311 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -59.396 flat angles C4'-P-C4' energy: -53.971 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -378.207037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.207037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.207037 (E_RNA) where: Base-Base interactions energy: -191.728 where: short stacking energy: -111.331 Base-Backbone interact. energy: -0.493 local terms energy: -185.985866 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -66.504 flat angles C4'-P-C4' energy: -37.370 flat angles P-C4'-P energy: -26.060 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1243.699423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.699423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.699423 (E_RNA) where: Base-Base interactions energy: -895.536 where: short stacking energy: -323.606 Base-Backbone interact. energy: -0.803 local terms energy: -347.361397 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -64.987 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -90.675 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: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1138.420159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.420159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.420159 (E_RNA) where: Base-Base interactions energy: -788.807 where: short stacking energy: -321.926 Base-Backbone interact. energy: -1.288 local terms energy: -348.325329 where: bonds (distance) C4'-P energy: -62.938 bonds (distance) P-C4' energy: -71.407 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -87.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1141.874852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.874852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.874852 (E_RNA) where: Base-Base interactions energy: -787.877 where: short stacking energy: -313.767 Base-Backbone interact. energy: -3.044 local terms energy: -350.953678 where: bonds (distance) C4'-P energy: -63.419 bonds (distance) P-C4' energy: -72.212 flat angles C4'-P-C4' energy: -64.804 flat angles P-C4'-P energy: -52.596 tors. eta vs tors. theta energy: -97.923 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: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1032.174610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.174610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.174610 (E_RNA) where: Base-Base interactions energy: -720.480 where: short stacking energy: -296.274 Base-Backbone interact. energy: 4.586 local terms energy: -316.280645 where: bonds (distance) C4'-P energy: -64.899 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -67.929 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -85.349 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: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -958.091010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.091010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.091010 (E_RNA) where: Base-Base interactions energy: -644.973 where: short stacking energy: -255.692 Base-Backbone interact. energy: -1.843 local terms energy: -311.275369 where: bonds (distance) C4'-P energy: -49.765 bonds (distance) P-C4' energy: -68.180 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -76.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -851.652411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.652411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.652411 (E_RNA) where: Base-Base interactions energy: -576.103 where: short stacking energy: -236.012 Base-Backbone interact. energy: -1.701 local terms energy: -273.848238 where: bonds (distance) C4'-P energy: -69.974 bonds (distance) P-C4' energy: -52.985 flat angles C4'-P-C4' energy: -71.064 flat angles P-C4'-P energy: -32.714 tors. eta vs tors. theta energy: -47.112 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -767.366450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.366450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.366450 (E_RNA) where: Base-Base interactions energy: -472.709 where: short stacking energy: -202.658 Base-Backbone interact. energy: 1.958 local terms energy: -296.614805 where: bonds (distance) C4'-P energy: -63.989 bonds (distance) P-C4' energy: -69.805 flat angles C4'-P-C4' energy: -67.159 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -56.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -534.039702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.039702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.039702 (E_RNA) where: Base-Base interactions energy: -309.795 where: short stacking energy: -147.060 Base-Backbone interact. energy: 8.812 local terms energy: -233.056410 where: bonds (distance) C4'-P energy: -44.092 bonds (distance) P-C4' energy: -67.334 flat angles C4'-P-C4' energy: -58.303 flat angles P-C4'-P energy: -41.466 tors. eta vs tors. theta energy: -21.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -559.272039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.272039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.272039 (E_RNA) where: Base-Base interactions energy: -335.076 where: short stacking energy: -154.187 Base-Backbone interact. energy: -0.467 local terms energy: -223.729618 where: bonds (distance) C4'-P energy: -47.930 bonds (distance) P-C4' energy: -59.909 flat angles C4'-P-C4' energy: -52.950 flat angles P-C4'-P energy: -28.579 tors. eta vs tors. theta energy: -34.362 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: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -385.881079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.881079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.881079 (E_RNA) where: Base-Base interactions energy: -194.836 where: short stacking energy: -111.822 Base-Backbone interact. energy: -0.754 local terms energy: -190.291339 where: bonds (distance) C4'-P energy: -54.099 bonds (distance) P-C4' energy: -54.692 flat angles C4'-P-C4' energy: -53.718 flat angles P-C4'-P energy: -27.382 tors. eta vs tors. theta energy: -0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1231.402925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.402925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.402925 (E_RNA) where: Base-Base interactions energy: -893.231 where: short stacking energy: -333.368 Base-Backbone interact. energy: -0.969 local terms energy: -337.203264 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -62.465 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -90.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1161.642947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.642947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.642947 (E_RNA) where: Base-Base interactions energy: -814.509 where: short stacking energy: -325.441 Base-Backbone interact. energy: 0.032 local terms energy: -347.166152 where: bonds (distance) C4'-P energy: -65.676 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -75.904 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -90.324 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: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1142.916986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.916986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.916986 (E_RNA) where: Base-Base interactions energy: -809.671 where: short stacking energy: -303.346 Base-Backbone interact. energy: -2.015 local terms energy: -331.230541 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -80.503 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -94.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1059.567338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.567338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.567338 (E_RNA) where: Base-Base interactions energy: -719.099 where: short stacking energy: -291.423 Base-Backbone interact. energy: -0.256 local terms energy: -340.212602 where: bonds (distance) C4'-P energy: -67.496 bonds (distance) P-C4' energy: -53.004 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -54.539 tors. eta vs tors. theta energy: -95.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -986.943098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.943098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.943098 (E_RNA) where: Base-Base interactions energy: -680.604 where: short stacking energy: -282.782 Base-Backbone interact. energy: -1.479 local terms energy: -304.860254 where: bonds (distance) C4'-P energy: -45.570 bonds (distance) P-C4' energy: -49.741 flat angles C4'-P-C4' energy: -79.738 flat angles P-C4'-P energy: -47.336 tors. eta vs tors. theta energy: -82.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -875.757409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.757409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.757409 (E_RNA) where: Base-Base interactions energy: -594.978 where: short stacking energy: -260.804 Base-Backbone interact. energy: -0.255 local terms energy: -280.524143 where: bonds (distance) C4'-P energy: -50.072 bonds (distance) P-C4' energy: -53.709 flat angles C4'-P-C4' energy: -60.135 flat angles P-C4'-P energy: -47.744 tors. eta vs tors. theta energy: -68.865 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: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -780.079513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.079513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.079513 (E_RNA) where: Base-Base interactions energy: -497.020 where: short stacking energy: -223.071 Base-Backbone interact. energy: -0.667 local terms energy: -282.391824 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -57.459 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -37.073 tors. eta vs tors. theta energy: -60.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -602.419950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.419950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.419950 (E_RNA) where: Base-Base interactions energy: -365.185 where: short stacking energy: -161.220 Base-Backbone interact. energy: 1.545 local terms energy: -238.780311 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -42.941 flat angles P-C4'-P energy: -39.367 tors. eta vs tors. theta energy: -35.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -496.533394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.533394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.533394 (E_RNA) where: Base-Base interactions energy: -277.560 where: short stacking energy: -114.758 Base-Backbone interact. energy: -1.362 local terms energy: -217.611249 where: bonds (distance) C4'-P energy: -51.473 bonds (distance) P-C4' energy: -65.248 flat angles C4'-P-C4' energy: -55.048 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -8.967 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: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -408.772994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.772994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.772994 (E_RNA) where: Base-Base interactions energy: -214.035 where: short stacking energy: -112.884 Base-Backbone interact. energy: -0.725 local terms energy: -194.013171 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -52.074 flat angles C4'-P-C4' energy: -47.749 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: 0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1229.213929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.213929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.213929 (E_RNA) where: Base-Base interactions energy: -880.809 where: short stacking energy: -343.683 Base-Backbone interact. energy: -1.082 local terms energy: -347.322167 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -72.293 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -97.500 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: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1147.637348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.637348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.637348 (E_RNA) where: Base-Base interactions energy: -806.856 where: short stacking energy: -324.362 Base-Backbone interact. energy: -0.178 local terms energy: -340.603190 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -78.671 flat angles P-C4'-P energy: -46.433 tors. eta vs tors. theta energy: -89.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1125.002034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.002034 (E_RNA) where: Base-Base interactions energy: -796.022 where: short stacking energy: -296.501 Base-Backbone interact. energy: -1.225 local terms energy: -327.755719 where: bonds (distance) C4'-P energy: -54.998 bonds (distance) P-C4' energy: -60.995 flat angles C4'-P-C4' energy: -73.096 flat angles P-C4'-P energy: -34.459 tors. eta vs tors. theta energy: -104.208 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: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1064.816262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.816262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.816262 (E_RNA) where: Base-Base interactions energy: -744.284 where: short stacking energy: -311.525 Base-Backbone interact. energy: -1.262 local terms energy: -319.270445 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -54.408 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -92.419 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: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1001.416197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.416197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.416197 (E_RNA) where: Base-Base interactions energy: -705.727 where: short stacking energy: -259.737 Base-Backbone interact. energy: 0.230 local terms energy: -295.919429 where: bonds (distance) C4'-P energy: -60.972 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -64.599 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -65.899 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: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -873.342616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.342616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.342616 (E_RNA) where: Base-Base interactions energy: -585.333 where: short stacking energy: -263.236 Base-Backbone interact. energy: 3.424 local terms energy: -291.433650 where: bonds (distance) C4'-P energy: -62.615 bonds (distance) P-C4' energy: -61.639 flat angles C4'-P-C4' energy: -65.889 flat angles P-C4'-P energy: -41.873 tors. eta vs tors. theta energy: -59.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -762.901455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.901455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.901455 (E_RNA) where: Base-Base interactions energy: -494.153 where: short stacking energy: -215.687 Base-Backbone interact. energy: -0.984 local terms energy: -267.764639 where: bonds (distance) C4'-P energy: -48.389 bonds (distance) P-C4' energy: -51.727 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -58.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -608.017141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.017141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.017141 (E_RNA) where: Base-Base interactions energy: -365.636 where: short stacking energy: -165.349 Base-Backbone interact. energy: -0.323 local terms energy: -242.057899 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -58.439 flat angles C4'-P-C4' energy: -62.069 flat angles P-C4'-P energy: -31.764 tors. eta vs tors. theta energy: -26.908 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: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -449.714077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.714077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.714077 (E_RNA) where: Base-Base interactions energy: -249.897 where: short stacking energy: -133.747 Base-Backbone interact. energy: -3.248 local terms energy: -196.568937 where: bonds (distance) C4'-P energy: -52.682 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -52.126 flat angles P-C4'-P energy: -29.440 tors. eta vs tors. theta energy: -8.811 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: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -374.827269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.827269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.827269 (E_RNA) where: Base-Base interactions energy: -192.095 where: short stacking energy: -103.328 Base-Backbone interact. energy: -1.148 local terms energy: -181.583938 where: bonds (distance) C4'-P energy: -38.831 bonds (distance) P-C4' energy: -61.858 flat angles C4'-P-C4' energy: -49.245 flat angles P-C4'-P energy: -34.671 tors. eta vs tors. theta energy: 3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1227.919499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.919499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.919499 (E_RNA) where: Base-Base interactions energy: -879.657 where: short stacking energy: -318.241 Base-Backbone interact. energy: -1.409 local terms energy: -346.854006 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -72.306 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -87.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1148.731594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.731594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.731594 (E_RNA) where: Base-Base interactions energy: -812.298 where: short stacking energy: -304.789 Base-Backbone interact. energy: 2.106 local terms energy: -338.539224 where: bonds (distance) C4'-P energy: -71.312 bonds (distance) P-C4' energy: -68.217 flat angles C4'-P-C4' energy: -68.790 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -86.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1134.093379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.093379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.093379 (E_RNA) where: Base-Base interactions energy: -793.647 where: short stacking energy: -304.012 Base-Backbone interact. energy: -1.458 local terms energy: -338.988979 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -67.170 flat angles C4'-P-C4' energy: -66.248 flat angles P-C4'-P energy: -46.561 tors. eta vs tors. theta energy: -95.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1044.635387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.635387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.635387 (E_RNA) where: Base-Base interactions energy: -736.227 where: short stacking energy: -288.376 Base-Backbone interact. energy: 1.407 local terms energy: -309.815411 where: bonds (distance) C4'-P energy: -59.490 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -67.054 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -77.827 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: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1019.914109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.914109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.914109 (E_RNA) where: Base-Base interactions energy: -717.871 where: short stacking energy: -289.664 Base-Backbone interact. energy: -0.546 local terms energy: -301.496751 where: bonds (distance) C4'-P energy: -52.788 bonds (distance) P-C4' energy: -52.243 flat angles C4'-P-C4' energy: -61.265 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -90.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -871.711835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.711835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.711835 (E_RNA) where: Base-Base interactions energy: -592.736 where: short stacking energy: -242.254 Base-Backbone interact. energy: -0.881 local terms energy: -278.094914 where: bonds (distance) C4'-P energy: -50.244 bonds (distance) P-C4' energy: -58.562 flat angles C4'-P-C4' energy: -62.103 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -66.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -780.186642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.186642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.186642 (E_RNA) where: Base-Base interactions energy: -501.232 where: short stacking energy: -227.593 Base-Backbone interact. energy: -1.284 local terms energy: -277.670134 where: bonds (distance) C4'-P energy: -51.601 bonds (distance) P-C4' energy: -54.371 flat angles C4'-P-C4' energy: -53.324 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -72.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -647.069281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.069281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.069281 (E_RNA) where: Base-Base interactions energy: -415.199 where: short stacking energy: -183.610 Base-Backbone interact. energy: -2.570 local terms energy: -229.301080 where: bonds (distance) C4'-P energy: -61.115 bonds (distance) P-C4' energy: -50.645 flat angles C4'-P-C4' energy: -56.097 flat angles P-C4'-P energy: -21.198 tors. eta vs tors. theta energy: -40.246 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: 313 Temperature: 1.300000 Total energy: -452.524567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.524567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.524567 (E_RNA) where: Base-Base interactions energy: -271.612 where: short stacking energy: -150.807 Base-Backbone interact. energy: 0.274 local terms energy: -181.186619 where: bonds (distance) C4'-P energy: -49.705 bonds (distance) P-C4' energy: -58.251 flat angles C4'-P-C4' energy: -47.896 flat angles P-C4'-P energy: -14.387 tors. eta vs tors. theta energy: -10.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -393.549819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.549819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.549819 (E_RNA) where: Base-Base interactions energy: -213.262 where: short stacking energy: -101.543 Base-Backbone interact. energy: 3.610 local terms energy: -183.898188 where: bonds (distance) C4'-P energy: -40.622 bonds (distance) P-C4' energy: -61.122 flat angles C4'-P-C4' energy: -50.398 flat angles P-C4'-P energy: -26.106 tors. eta vs tors. theta energy: -5.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1206.354437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.354437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.354437 (E_RNA) where: Base-Base interactions energy: -869.658 where: short stacking energy: -337.496 Base-Backbone interact. energy: -3.299 local terms energy: -333.397591 where: bonds (distance) C4'-P energy: -61.890 bonds (distance) P-C4' energy: -64.226 flat angles C4'-P-C4' energy: -73.675 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -90.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1145.792579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.792579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.792579 (E_RNA) where: Base-Base interactions energy: -802.769 where: short stacking energy: -302.255 Base-Backbone interact. energy: -1.928 local terms energy: -341.096192 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -67.898 flat angles C4'-P-C4' energy: -68.974 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: -90.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1142.323229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.323229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.323229 (E_RNA) where: Base-Base interactions energy: -804.508 where: short stacking energy: -315.394 Base-Backbone interact. energy: -1.071 local terms energy: -336.743536 where: bonds (distance) C4'-P energy: -63.872 bonds (distance) P-C4' energy: -56.145 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -105.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1048.107350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.107350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.107350 (E_RNA) where: Base-Base interactions energy: -750.863 where: short stacking energy: -300.421 Base-Backbone interact. energy: -1.691 local terms energy: -295.552950 where: bonds (distance) C4'-P energy: -51.734 bonds (distance) P-C4' energy: -61.489 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -30.020 tors. eta vs tors. theta energy: -84.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1022.597630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.597630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.597630 (E_RNA) where: Base-Base interactions energy: -701.225 where: short stacking energy: -269.980 Base-Backbone interact. energy: 2.099 local terms energy: -323.471196 where: bonds (distance) C4'-P energy: -56.548 bonds (distance) P-C4' energy: -68.310 flat angles C4'-P-C4' energy: -59.981 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: -89.389 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: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -883.699506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.699506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.699506 (E_RNA) where: Base-Base interactions energy: -600.934 where: short stacking energy: -253.294 Base-Backbone interact. energy: -0.288 local terms energy: -282.477898 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -54.589 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -37.292 tors. eta vs tors. theta energy: -73.835 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: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -784.403350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.403350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.403350 (E_RNA) where: Base-Base interactions energy: -525.198 where: short stacking energy: -226.624 Base-Backbone interact. energy: -1.635 local terms energy: -257.569504 where: bonds (distance) C4'-P energy: -52.101 bonds (distance) P-C4' energy: -55.266 flat angles C4'-P-C4' energy: -58.885 flat angles P-C4'-P energy: -35.393 tors. eta vs tors. theta energy: -55.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -622.709014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.709014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.709014 (E_RNA) where: Base-Base interactions energy: -378.151 where: short stacking energy: -160.978 Base-Backbone interact. energy: -1.078 local terms energy: -243.480247 where: bonds (distance) C4'-P energy: -47.254 bonds (distance) P-C4' energy: -52.289 flat angles C4'-P-C4' energy: -63.987 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -33.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -411.349902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.349902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.349902 (E_RNA) where: Base-Base interactions energy: -216.323 where: short stacking energy: -105.274 Base-Backbone interact. energy: -0.879 local terms energy: -194.148055 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -50.925 flat angles C4'-P-C4' energy: -49.517 flat angles P-C4'-P energy: -25.600 tors. eta vs tors. theta energy: -13.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -461.129948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.129948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.129948 (E_RNA) where: Base-Base interactions energy: -256.899 where: short stacking energy: -117.025 Base-Backbone interact. energy: -0.681 local terms energy: -203.549158 where: bonds (distance) C4'-P energy: -45.951 bonds (distance) P-C4' energy: -51.171 flat angles C4'-P-C4' energy: -44.718 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: -25.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1220.766044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.766044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.766044 (E_RNA) where: Base-Base interactions energy: -870.904 where: short stacking energy: -326.263 Base-Backbone interact. energy: -2.426 local terms energy: -347.435773 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -59.118 flat angles C4'-P-C4' energy: -78.729 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -94.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1189.043364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.043364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.043364 (E_RNA) where: Base-Base interactions energy: -845.839 where: short stacking energy: -309.258 Base-Backbone interact. energy: -2.350 local terms energy: -340.853565 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -62.717 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -92.863 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: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1134.956533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.956533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.956533 (E_RNA) where: Base-Base interactions energy: -808.279 where: short stacking energy: -310.180 Base-Backbone interact. energy: -1.100 local terms energy: -325.577182 where: bonds (distance) C4'-P energy: -64.947 bonds (distance) P-C4' energy: -58.409 flat angles C4'-P-C4' energy: -65.318 flat angles P-C4'-P energy: -40.430 tors. eta vs tors. theta energy: -96.473 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1069.335378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.335378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.335378 (E_RNA) where: Base-Base interactions energy: -733.110 where: short stacking energy: -296.035 Base-Backbone interact. energy: -2.362 local terms energy: -333.862857 where: bonds (distance) C4'-P energy: -58.867 bonds (distance) P-C4' energy: -66.908 flat angles C4'-P-C4' energy: -72.635 flat angles P-C4'-P energy: -48.381 tors. eta vs tors. theta energy: -87.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1009.280640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.280640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.280640 (E_RNA) where: Base-Base interactions energy: -700.404 where: short stacking energy: -292.250 Base-Backbone interact. energy: -2.917 local terms energy: -305.959738 where: bonds (distance) C4'-P energy: -48.424 bonds (distance) P-C4' energy: -61.737 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -88.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -821.006327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.006327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.006327 (E_RNA) where: Base-Base interactions energy: -520.502 where: short stacking energy: -229.461 Base-Backbone interact. energy: -0.043 local terms energy: -300.461968 where: bonds (distance) C4'-P energy: -53.200 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -67.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -855.750090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.750090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.750090 (E_RNA) where: Base-Base interactions energy: -572.526 where: short stacking energy: -225.081 Base-Backbone interact. energy: 2.372 local terms energy: -285.596136 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -57.807 flat angles C4'-P-C4' energy: -54.527 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -68.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -672.352432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.352432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.352432 (E_RNA) where: Base-Base interactions energy: -424.954 where: short stacking energy: -193.887 Base-Backbone interact. energy: -1.692 local terms energy: -245.706340 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -43.705 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -42.146 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: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -428.330585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.330585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.330585 (E_RNA) where: Base-Base interactions energy: -227.873 where: short stacking energy: -117.374 Base-Backbone interact. energy: 1.449 local terms energy: -201.906553 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -47.556 flat angles C4'-P-C4' energy: -44.044 flat angles P-C4'-P energy: -28.825 tors. eta vs tors. theta energy: -20.891 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: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -448.870165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.870165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.870165 (E_RNA) where: Base-Base interactions energy: -241.596 where: short stacking energy: -130.078 Base-Backbone interact. energy: 2.129 local terms energy: -209.403323 where: bonds (distance) C4'-P energy: -42.299 bonds (distance) P-C4' energy: -57.546 flat angles C4'-P-C4' energy: -47.608 flat angles P-C4'-P energy: -49.647 tors. eta vs tors. theta energy: -12.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1215.555266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.555266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.555266 (E_RNA) where: Base-Base interactions energy: -876.937 where: short stacking energy: -331.442 Base-Backbone interact. energy: -1.659 local terms energy: -336.959126 where: bonds (distance) C4'-P energy: -66.455 bonds (distance) P-C4' energy: -66.432 flat angles C4'-P-C4' energy: -68.589 flat angles P-C4'-P energy: -43.887 tors. eta vs tors. theta energy: -91.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1177.468053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.468053 (E_RNA) where: Base-Base interactions energy: -842.129 where: short stacking energy: -311.760 Base-Backbone interact. energy: -0.901 local terms energy: -334.437975 where: bonds (distance) C4'-P energy: -68.313 bonds (distance) P-C4' energy: -59.987 flat angles C4'-P-C4' energy: -73.553 flat angles P-C4'-P energy: -47.444 tors. eta vs tors. theta energy: -85.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1091.435287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.435287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.435287 (E_RNA) where: Base-Base interactions energy: -759.072 where: short stacking energy: -312.036 Base-Backbone interact. energy: -2.102 local terms energy: -330.261403 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -49.815 tors. eta vs tors. theta energy: -89.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1105.080341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.080341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.080341 (E_RNA) where: Base-Base interactions energy: -771.053 where: short stacking energy: -302.668 Base-Backbone interact. energy: 0.719 local terms energy: -334.745819 where: bonds (distance) C4'-P energy: -63.436 bonds (distance) P-C4' energy: -60.386 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -53.487 tors. eta vs tors. theta energy: -90.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -998.603468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.603468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.603468 (E_RNA) where: Base-Base interactions energy: -694.098 where: short stacking energy: -258.912 Base-Backbone interact. energy: -1.320 local terms energy: -303.185834 where: bonds (distance) C4'-P energy: -62.371 bonds (distance) P-C4' energy: -53.638 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -73.514 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: 316 Temperature: 1.150000 Total energy: -842.177376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.177376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.177376 (E_RNA) where: Base-Base interactions energy: -536.965 where: short stacking energy: -251.784 Base-Backbone interact. energy: 0.544 local terms energy: -305.755764 where: bonds (distance) C4'-P energy: -58.323 bonds (distance) P-C4' energy: -65.113 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: -78.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -820.221950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.221950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.221950 (E_RNA) where: Base-Base interactions energy: -555.089 where: short stacking energy: -221.810 Base-Backbone interact. energy: -1.678 local terms energy: -263.455554 where: bonds (distance) C4'-P energy: -57.658 bonds (distance) P-C4' energy: -62.581 flat angles C4'-P-C4' energy: -66.302 flat angles P-C4'-P energy: -26.834 tors. eta vs tors. theta energy: -50.080 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: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -676.904321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.904321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.904321 (E_RNA) where: Base-Base interactions energy: -425.147 where: short stacking energy: -179.616 Base-Backbone interact. energy: -1.617 local terms energy: -250.139753 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -54.581 flat angles C4'-P-C4' energy: -65.501 flat angles P-C4'-P energy: -29.441 tors. eta vs tors. theta energy: -43.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -489.835706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.835706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.835706 (E_RNA) where: Base-Base interactions energy: -281.346 where: short stacking energy: -127.582 Base-Backbone interact. energy: -3.022 local terms energy: -205.468017 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -57.145 flat angles C4'-P-C4' energy: -48.050 flat angles P-C4'-P energy: -31.145 tors. eta vs tors. theta energy: -18.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -395.637583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.637583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.637583 (E_RNA) where: Base-Base interactions energy: -194.512 where: short stacking energy: -111.085 Base-Backbone interact. energy: 4.719 local terms energy: -205.843896 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -46.200 flat angles P-C4'-P energy: -25.381 tors. eta vs tors. theta energy: -16.717 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: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1228.899843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.899843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.899843 (E_RNA) where: Base-Base interactions energy: -881.995 where: short stacking energy: -327.146 Base-Backbone interact. energy: -2.519 local terms energy: -344.385501 where: bonds (distance) C4'-P energy: -59.844 bonds (distance) P-C4' energy: -69.598 flat angles C4'-P-C4' energy: -67.950 flat angles P-C4'-P energy: -42.998 tors. eta vs tors. theta energy: -103.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1148.419797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.419797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.419797 (E_RNA) where: Base-Base interactions energy: -807.574 where: short stacking energy: -315.937 Base-Backbone interact. energy: -3.462 local terms energy: -337.383482 where: bonds (distance) C4'-P energy: -70.966 bonds (distance) P-C4' energy: -59.499 flat angles C4'-P-C4' energy: -76.357 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -88.241 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: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1099.013854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.013854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.013854 (E_RNA) where: Base-Base interactions energy: -771.973 where: short stacking energy: -293.164 Base-Backbone interact. energy: -1.389 local terms energy: -325.652131 where: bonds (distance) C4'-P energy: -58.585 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -77.939 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: -87.637 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: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1091.632682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.632682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.632682 (E_RNA) where: Base-Base interactions energy: -772.756 where: short stacking energy: -312.264 Base-Backbone interact. energy: -0.719 local terms energy: -318.157672 where: bonds (distance) C4'-P energy: -53.754 bonds (distance) P-C4' energy: -62.305 flat angles C4'-P-C4' energy: -69.215 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -91.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -980.243072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.243072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.243072 (E_RNA) where: Base-Base interactions energy: -670.609 where: short stacking energy: -254.825 Base-Backbone interact. energy: -2.933 local terms energy: -306.700418 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -66.511 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: -72.268 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: 317 Temperature: 1.150000 Total energy: -844.151396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.151396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.151396 (E_RNA) where: Base-Base interactions energy: -575.011 where: short stacking energy: -241.887 Base-Backbone interact. energy: -2.621 local terms energy: -266.518636 where: bonds (distance) C4'-P energy: -52.154 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -69.159 flat angles P-C4'-P energy: -31.897 tors. eta vs tors. theta energy: -57.454 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: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -796.206244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.206244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.206244 (E_RNA) where: Base-Base interactions energy: -522.988 where: short stacking energy: -222.161 Base-Backbone interact. energy: -2.278 local terms energy: -270.940097 where: bonds (distance) C4'-P energy: -54.549 bonds (distance) P-C4' energy: -45.273 flat angles C4'-P-C4' energy: -71.727 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -53.320 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: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -659.164340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.164340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.164340 (E_RNA) where: Base-Base interactions energy: -401.067 where: short stacking energy: -187.209 Base-Backbone interact. energy: -1.251 local terms energy: -256.846957 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -55.517 flat angles C4'-P-C4' energy: -59.482 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -30.277 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: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -485.952934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.952934 (E_RNA) where: Base-Base interactions energy: -278.060 where: short stacking energy: -128.885 Base-Backbone interact. energy: -0.741 local terms energy: -207.151969 where: bonds (distance) C4'-P energy: -44.799 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -59.224 flat angles P-C4'-P energy: -33.624 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -373.598355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.598355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.598355 (E_RNA) where: Base-Base interactions energy: -187.781 where: short stacking energy: -104.638 Base-Backbone interact. energy: 0.983 local terms energy: -186.800681 where: bonds (distance) C4'-P energy: -55.357 bonds (distance) P-C4' energy: -69.177 flat angles C4'-P-C4' energy: -35.992 flat angles P-C4'-P energy: -15.026 tors. eta vs tors. theta energy: -11.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1237.262785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.262785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.262785 (E_RNA) where: Base-Base interactions energy: -890.456 where: short stacking energy: -335.128 Base-Backbone interact. energy: -3.069 local terms energy: -343.738131 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -63.396 flat angles C4'-P-C4' energy: -73.746 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -98.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1164.594469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.594469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.594469 (E_RNA) where: Base-Base interactions energy: -814.414 where: short stacking energy: -326.063 Base-Backbone interact. energy: -0.799 local terms energy: -349.381082 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -71.904 flat angles P-C4'-P energy: -48.317 tors. eta vs tors. theta energy: -91.437 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: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1090.321647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.321647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.321647 (E_RNA) where: Base-Base interactions energy: -780.060 where: short stacking energy: -297.715 Base-Backbone interact. energy: -1.338 local terms energy: -308.923611 where: bonds (distance) C4'-P energy: -45.987 bonds (distance) P-C4' energy: -65.177 flat angles C4'-P-C4' energy: -76.484 flat angles P-C4'-P energy: -40.370 tors. eta vs tors. theta energy: -80.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1096.238961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.238961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.238961 (E_RNA) where: Base-Base interactions energy: -762.736 where: short stacking energy: -290.686 Base-Backbone interact. energy: -0.500 local terms energy: -333.003850 where: bonds (distance) C4'-P energy: -62.690 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -72.654 flat angles P-C4'-P energy: -42.672 tors. eta vs tors. theta energy: -95.793 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: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -993.301045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.301045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.301045 (E_RNA) where: Base-Base interactions energy: -668.144 where: short stacking energy: -285.634 Base-Backbone interact. energy: -1.360 local terms energy: -323.797809 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -66.436 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -87.261 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: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -892.871914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.871914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.871914 (E_RNA) where: Base-Base interactions energy: -607.644 where: short stacking energy: -245.076 Base-Backbone interact. energy: 1.589 local terms energy: -286.816658 where: bonds (distance) C4'-P energy: -59.735 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -60.636 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -68.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -775.270736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.270736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.270736 (E_RNA) where: Base-Base interactions energy: -516.361 where: short stacking energy: -227.610 Base-Backbone interact. energy: 0.319 local terms energy: -259.229060 where: bonds (distance) C4'-P energy: -47.949 bonds (distance) P-C4' energy: -49.751 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -54.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -661.400878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.400878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.400878 (E_RNA) where: Base-Base interactions energy: -424.575 where: short stacking energy: -191.221 Base-Backbone interact. energy: -0.584 local terms energy: -236.242097 where: bonds (distance) C4'-P energy: -55.411 bonds (distance) P-C4' energy: -50.655 flat angles C4'-P-C4' energy: -55.372 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -32.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -408.352814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.352814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.352814 (E_RNA) where: Base-Base interactions energy: -210.354 where: short stacking energy: -125.954 Base-Backbone interact. energy: 0.387 local terms energy: -198.385926 where: bonds (distance) C4'-P energy: -53.251 bonds (distance) P-C4' energy: -47.632 flat angles C4'-P-C4' energy: -50.558 flat angles P-C4'-P energy: -26.760 tors. eta vs tors. theta energy: -20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -446.159163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.159163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.159163 (E_RNA) where: Base-Base interactions energy: -229.348 where: short stacking energy: -102.292 Base-Backbone interact. energy: 0.509 local terms energy: -217.320041 where: bonds (distance) C4'-P energy: -54.195 bonds (distance) P-C4' energy: -69.536 flat angles C4'-P-C4' energy: -58.236 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: 3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1214.926138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.926138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.926138 (E_RNA) where: Base-Base interactions energy: -866.723 where: short stacking energy: -333.096 Base-Backbone interact. energy: -1.357 local terms energy: -346.845783 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -73.277 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: -92.789 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: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1137.528604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.528604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.528604 (E_RNA) where: Base-Base interactions energy: -792.278 where: short stacking energy: -287.540 Base-Backbone interact. energy: -2.458 local terms energy: -342.793163 where: bonds (distance) C4'-P energy: -68.760 bonds (distance) P-C4' energy: -74.555 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -79.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1091.830740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.830740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.830740 (E_RNA) where: Base-Base interactions energy: -774.855 where: short stacking energy: -302.059 Base-Backbone interact. energy: -1.020 local terms energy: -315.955193 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -67.599 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -85.946 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: 319 Temperature: 1.050000 Total energy: -1089.232587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.232587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.232587 (E_RNA) where: Base-Base interactions energy: -758.334 where: short stacking energy: -297.519 Base-Backbone interact. energy: -1.466 local terms energy: -329.432920 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -53.426 flat angles C4'-P-C4' energy: -69.848 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -103.542 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: 319 Temperature: 1.100000 Total energy: -1015.882953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.882953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.882953 (E_RNA) where: Base-Base interactions energy: -706.454 where: short stacking energy: -288.578 Base-Backbone interact. energy: -2.243 local terms energy: -307.185586 where: bonds (distance) C4'-P energy: -54.856 bonds (distance) P-C4' energy: -54.135 flat angles C4'-P-C4' energy: -65.857 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -92.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -863.532883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.532883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.532883 (E_RNA) where: Base-Base interactions energy: -570.051 where: short stacking energy: -248.340 Base-Backbone interact. energy: -0.871 local terms energy: -292.610504 where: bonds (distance) C4'-P energy: -59.639 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -55.109 flat angles P-C4'-P energy: -45.078 tors. eta vs tors. theta energy: -71.675 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: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -817.264131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.264131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.264131 (E_RNA) where: Base-Base interactions energy: -537.313 where: short stacking energy: -246.195 Base-Backbone interact. energy: -0.364 local terms energy: -279.586944 where: bonds (distance) C4'-P energy: -57.707 bonds (distance) P-C4' energy: -54.352 flat angles C4'-P-C4' energy: -61.905 flat angles P-C4'-P energy: -34.887 tors. eta vs tors. theta energy: -70.736 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: 319 Temperature: 1.250000 Total energy: -616.695817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.695817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.695817 (E_RNA) where: Base-Base interactions energy: -395.683 where: short stacking energy: -175.041 Base-Backbone interact. energy: -2.627 local terms energy: -218.386428 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -38.121 flat angles P-C4'-P energy: -31.294 tors. eta vs tors. theta energy: -33.704 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: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -394.970648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.970648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.970648 (E_RNA) where: Base-Base interactions energy: -193.183 where: short stacking energy: -102.695 Base-Backbone interact. energy: -1.905 local terms energy: -199.882701 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -52.697 flat angles C4'-P-C4' energy: -53.684 flat angles P-C4'-P energy: -31.219 tors. eta vs tors. theta energy: 2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -436.886843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.886843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.886843 (E_RNA) where: Base-Base interactions energy: -247.961 where: short stacking energy: -127.415 Base-Backbone interact. energy: -0.847 local terms energy: -188.079158 where: bonds (distance) C4'-P energy: -50.204 bonds (distance) P-C4' energy: -52.846 flat angles C4'-P-C4' energy: -48.138 flat angles P-C4'-P energy: -27.237 tors. eta vs tors. theta energy: -9.654 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: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1232.685537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.685537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.685537 (E_RNA) where: Base-Base interactions energy: -886.964 where: short stacking energy: -346.643 Base-Backbone interact. energy: -0.648 local terms energy: -345.072981 where: bonds (distance) C4'-P energy: -62.559 bonds (distance) P-C4' energy: -70.716 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -96.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1172.972789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.972789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.972789 (E_RNA) where: Base-Base interactions energy: -829.548 where: short stacking energy: -320.844 Base-Backbone interact. energy: 0.720 local terms energy: -344.144857 where: bonds (distance) C4'-P energy: -60.089 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -74.872 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -95.058 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: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1093.459644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.459644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.459644 (E_RNA) where: Base-Base interactions energy: -764.401 where: short stacking energy: -294.923 Base-Backbone interact. energy: -2.283 local terms energy: -326.775307 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -69.817 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -85.715 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: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1070.702874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.702874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.702874 (E_RNA) where: Base-Base interactions energy: -765.859 where: short stacking energy: -302.844 Base-Backbone interact. energy: 0.289 local terms energy: -305.132513 where: bonds (distance) C4'-P energy: -55.024 bonds (distance) P-C4' energy: -51.655 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -86.672 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: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1019.927430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.927430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.927430 (E_RNA) where: Base-Base interactions energy: -704.749 where: short stacking energy: -286.685 Base-Backbone interact. energy: 0.546 local terms energy: -315.724215 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -39.192 tors. eta vs tors. theta energy: -87.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -875.398604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.398604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.398604 (E_RNA) where: Base-Base interactions energy: -593.994 where: short stacking energy: -264.859 Base-Backbone interact. energy: 0.086 local terms energy: -281.490812 where: bonds (distance) C4'-P energy: -47.273 bonds (distance) P-C4' energy: -62.428 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: -68.245 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: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -774.204826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.204826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.204826 (E_RNA) where: Base-Base interactions energy: -526.355 where: short stacking energy: -218.493 Base-Backbone interact. energy: -1.136 local terms energy: -246.713753 where: bonds (distance) C4'-P energy: -38.335 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -58.126 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: -53.436 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: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -623.179697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.179697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.179697 (E_RNA) where: Base-Base interactions energy: -394.512 where: short stacking energy: -178.364 Base-Backbone interact. energy: -0.915 local terms energy: -227.753199 where: bonds (distance) C4'-P energy: -51.615 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -50.693 flat angles P-C4'-P energy: -28.381 tors. eta vs tors. theta energy: -38.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -511.362574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.362574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.362574 (E_RNA) where: Base-Base interactions energy: -316.033 where: short stacking energy: -143.807 Base-Backbone interact. energy: -1.186 local terms energy: -194.142808 where: bonds (distance) C4'-P energy: -51.864 bonds (distance) P-C4' energy: -51.502 flat angles C4'-P-C4' energy: -54.871 flat angles P-C4'-P energy: -21.493 tors. eta vs tors. theta energy: -14.413 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: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -378.997118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.997118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.997118 (E_RNA) where: Base-Base interactions energy: -190.671 where: short stacking energy: -101.119 Base-Backbone interact. energy: -1.158 local terms energy: -187.167205 where: bonds (distance) C4'-P energy: -57.024 bonds (distance) P-C4' energy: -55.731 flat angles C4'-P-C4' energy: -47.324 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: 10.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1224.183149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.183149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.183149 (E_RNA) where: Base-Base interactions energy: -859.652 where: short stacking energy: -321.594 Base-Backbone interact. energy: -3.085 local terms energy: -361.445885 where: bonds (distance) C4'-P energy: -70.235 bonds (distance) P-C4' energy: -71.946 flat angles C4'-P-C4' energy: -76.679 flat angles P-C4'-P energy: -36.855 tors. eta vs tors. theta energy: -105.731 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: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1158.995464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.995464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.995464 (E_RNA) where: Base-Base interactions energy: -805.034 where: short stacking energy: -300.369 Base-Backbone interact. energy: -1.457 local terms energy: -352.504643 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -66.057 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -87.870 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1095.775468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.775468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.775468 (E_RNA) where: Base-Base interactions energy: -776.267 where: short stacking energy: -302.696 Base-Backbone interact. energy: -0.923 local terms energy: -318.586153 where: bonds (distance) C4'-P energy: -54.176 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -63.571 flat angles P-C4'-P energy: -51.817 tors. eta vs tors. theta energy: -84.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1082.974744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.974744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.974744 (E_RNA) where: Base-Base interactions energy: -761.565 where: short stacking energy: -281.115 Base-Backbone interact. energy: -1.448 local terms energy: -319.961811 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -64.648 flat angles C4'-P-C4' energy: -69.306 flat angles P-C4'-P energy: -46.662 tors. eta vs tors. theta energy: -78.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1037.654955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.654955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.654955 (E_RNA) where: Base-Base interactions energy: -694.157 where: short stacking energy: -297.740 Base-Backbone interact. energy: -0.078 local terms energy: -343.420206 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -68.670 flat angles C4'-P-C4' energy: -68.729 flat angles P-C4'-P energy: -45.135 tors. eta vs tors. theta energy: -95.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -902.768381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.768381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.768381 (E_RNA) where: Base-Base interactions energy: -619.922 where: short stacking energy: -257.771 Base-Backbone interact. energy: 1.017 local terms energy: -283.863002 where: bonds (distance) C4'-P energy: -63.506 bonds (distance) P-C4' energy: -56.269 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -42.410 tors. eta vs tors. theta energy: -62.120 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: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -770.274546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.274546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.274546 (E_RNA) where: Base-Base interactions energy: -513.559 where: short stacking energy: -237.963 Base-Backbone interact. energy: -1.065 local terms energy: -255.650654 where: bonds (distance) C4'-P energy: -52.995 bonds (distance) P-C4' energy: -49.569 flat angles C4'-P-C4' energy: -59.059 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: -62.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -653.057473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.057473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.057473 (E_RNA) where: Base-Base interactions energy: -413.553 where: short stacking energy: -179.845 Base-Backbone interact. energy: 0.396 local terms energy: -239.900391 where: bonds (distance) C4'-P energy: -40.845 bonds (distance) P-C4' energy: -55.102 flat angles C4'-P-C4' energy: -52.841 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -41.218 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: 321 Temperature: 1.300000 Total energy: -394.279325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.279325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.279325 (E_RNA) where: Base-Base interactions energy: -200.057 where: short stacking energy: -111.808 Base-Backbone interact. energy: 1.170 local terms energy: -195.392275 where: bonds (distance) C4'-P energy: -49.392 bonds (distance) P-C4' energy: -61.776 flat angles C4'-P-C4' energy: -50.244 flat angles P-C4'-P energy: -27.734 tors. eta vs tors. theta energy: -6.246 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: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -378.957763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.957763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.957763 (E_RNA) where: Base-Base interactions energy: -188.023 where: short stacking energy: -99.471 Base-Backbone interact. energy: 0.499 local terms energy: -191.433969 where: bonds (distance) C4'-P energy: -47.906 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -39.522 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: -1.538 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: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1225.284154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.284154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.284154 (E_RNA) where: Base-Base interactions energy: -859.098 where: short stacking energy: -320.426 Base-Backbone interact. energy: -0.931 local terms energy: -365.255875 where: bonds (distance) C4'-P energy: -73.542 bonds (distance) P-C4' energy: -64.517 flat angles C4'-P-C4' energy: -76.580 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: -106.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1172.220369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.220369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.220369 (E_RNA) where: Base-Base interactions energy: -822.102 where: short stacking energy: -306.398 Base-Backbone interact. energy: 0.795 local terms energy: -350.913354 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -74.578 flat angles C4'-P-C4' energy: -69.037 flat angles P-C4'-P energy: -49.493 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: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1124.562493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.562493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.562493 (E_RNA) where: Base-Base interactions energy: -798.290 where: short stacking energy: -320.156 Base-Backbone interact. energy: -1.784 local terms energy: -324.488114 where: bonds (distance) C4'-P energy: -52.343 bonds (distance) P-C4' energy: -60.676 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -42.584 tors. eta vs tors. theta energy: -96.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1061.386562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.386562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.386562 (E_RNA) where: Base-Base interactions energy: -744.248 where: short stacking energy: -300.087 Base-Backbone interact. energy: -2.998 local terms energy: -314.140290 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -55.337 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: -88.669 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: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1025.898026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.898026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.898026 (E_RNA) where: Base-Base interactions energy: -690.454 where: short stacking energy: -296.724 Base-Backbone interact. energy: -2.764 local terms energy: -332.679787 where: bonds (distance) C4'-P energy: -59.237 bonds (distance) P-C4' energy: -58.135 flat angles C4'-P-C4' energy: -69.248 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -93.264 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: 322 Temperature: 1.150000 Total energy: -938.657753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.657753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.657753 (E_RNA) where: Base-Base interactions energy: -647.926 where: short stacking energy: -254.057 Base-Backbone interact. energy: 1.113 local terms energy: -291.845255 where: bonds (distance) C4'-P energy: -57.047 bonds (distance) P-C4' energy: -61.620 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -71.926 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: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -802.553550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.553550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.553550 (E_RNA) where: Base-Base interactions energy: -530.580 where: short stacking energy: -240.809 Base-Backbone interact. energy: -1.318 local terms energy: -270.655382 where: bonds (distance) C4'-P energy: -39.039 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -67.612 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: 322 Temperature: 1.250000 Total energy: -715.821149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.821149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.821149 (E_RNA) where: Base-Base interactions energy: -440.162 where: short stacking energy: -176.959 Base-Backbone interact. energy: 0.499 local terms energy: -276.158718 where: bonds (distance) C4'-P energy: -60.239 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -47.857 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: 2 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -456.156092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.156092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.156092 (E_RNA) where: Base-Base interactions energy: -243.715 where: short stacking energy: -116.197 Base-Backbone interact. energy: -0.506 local terms energy: -211.935120 where: bonds (distance) C4'-P energy: -54.708 bonds (distance) P-C4' energy: -57.192 flat angles C4'-P-C4' energy: -49.954 flat angles P-C4'-P energy: -36.192 tors. eta vs tors. theta energy: -13.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -378.870356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.870356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.870356 (E_RNA) where: Base-Base interactions energy: -209.671 where: short stacking energy: -109.495 Base-Backbone interact. energy: 4.456 local terms energy: -173.655146 where: bonds (distance) C4'-P energy: -41.738 bonds (distance) P-C4' energy: -50.264 flat angles C4'-P-C4' energy: -53.332 flat angles P-C4'-P energy: -26.854 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1215.409181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.409181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.409181 (E_RNA) where: Base-Base interactions energy: -872.244 where: short stacking energy: -330.145 Base-Backbone interact. energy: -0.097 local terms energy: -343.068708 where: bonds (distance) C4'-P energy: -57.925 bonds (distance) P-C4' energy: -65.977 flat angles C4'-P-C4' energy: -77.704 flat angles P-C4'-P energy: -42.994 tors. eta vs tors. theta energy: -98.469 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: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1141.445407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.445407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.445407 (E_RNA) where: Base-Base interactions energy: -803.888 where: short stacking energy: -303.168 Base-Backbone interact. energy: -1.274 local terms energy: -336.282884 where: bonds (distance) C4'-P energy: -51.972 bonds (distance) P-C4' energy: -69.524 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -92.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1156.639574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.639574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.639574 (E_RNA) where: Base-Base interactions energy: -802.851 where: short stacking energy: -320.016 Base-Backbone interact. energy: -3.116 local terms energy: -350.672040 where: bonds (distance) C4'-P energy: -67.050 bonds (distance) P-C4' energy: -63.382 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -96.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1064.998178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.998178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.998178 (E_RNA) where: Base-Base interactions energy: -751.649 where: short stacking energy: -286.913 Base-Backbone interact. energy: -1.717 local terms energy: -311.631993 where: bonds (distance) C4'-P energy: -60.261 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -45.330 tors. eta vs tors. theta energy: -77.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1021.201921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.201921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.201921 (E_RNA) where: Base-Base interactions energy: -687.687 where: short stacking energy: -286.815 Base-Backbone interact. energy: 1.253 local terms energy: -334.767814 where: bonds (distance) C4'-P energy: -58.342 bonds (distance) P-C4' energy: -56.778 flat angles C4'-P-C4' energy: -75.789 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -92.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -931.271487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.271487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.271487 (E_RNA) where: Base-Base interactions energy: -637.317 where: short stacking energy: -252.422 Base-Backbone interact. energy: -0.436 local terms energy: -293.518653 where: bonds (distance) C4'-P energy: -57.549 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -67.782 flat angles P-C4'-P energy: -37.640 tors. eta vs tors. theta energy: -70.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -804.584551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.584551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.584551 (E_RNA) where: Base-Base interactions energy: -493.959 where: short stacking energy: -224.486 Base-Backbone interact. energy: 0.111 local terms energy: -310.736705 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -68.628 flat angles P-C4'-P energy: -37.872 tors. eta vs tors. theta energy: -71.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -727.830213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.830213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.830213 (E_RNA) where: Base-Base interactions energy: -490.646 where: short stacking energy: -217.077 Base-Backbone interact. energy: -1.124 local terms energy: -236.059794 where: bonds (distance) C4'-P energy: -44.258 bonds (distance) P-C4' energy: -41.552 flat angles C4'-P-C4' energy: -56.994 flat angles P-C4'-P energy: -37.419 tors. eta vs tors. theta energy: -55.837 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: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -473.976581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.976581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.976581 (E_RNA) where: Base-Base interactions energy: -278.002 where: short stacking energy: -149.882 Base-Backbone interact. energy: -0.946 local terms energy: -195.028472 where: bonds (distance) C4'-P energy: -36.199 bonds (distance) P-C4' energy: -48.603 flat angles C4'-P-C4' energy: -64.250 flat angles P-C4'-P energy: -25.001 tors. eta vs tors. theta energy: -20.975 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: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -369.068061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.068061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.068061 (E_RNA) where: Base-Base interactions energy: -166.662 where: short stacking energy: -95.595 Base-Backbone interact. energy: 1.362 local terms energy: -203.768490 where: bonds (distance) C4'-P energy: -56.824 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -54.957 flat angles P-C4'-P energy: -23.043 tors. eta vs tors. theta energy: -0.063 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: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1225.271189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.271189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.271189 (E_RNA) where: Base-Base interactions energy: -870.584 where: short stacking energy: -327.960 Base-Backbone interact. energy: -0.081 local terms energy: -354.605663 where: bonds (distance) C4'-P energy: -65.852 bonds (distance) P-C4' energy: -70.524 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -47.338 tors. eta vs tors. theta energy: -98.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1131.572287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.572287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.572287 (E_RNA) where: Base-Base interactions energy: -781.397 where: short stacking energy: -310.974 Base-Backbone interact. energy: -2.207 local terms energy: -347.968346 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -66.158 flat angles C4'-P-C4' energy: -70.045 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -92.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1129.954844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.954844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.954844 (E_RNA) where: Base-Base interactions energy: -777.567 where: short stacking energy: -306.743 Base-Backbone interact. energy: -2.233 local terms energy: -350.154314 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -67.269 flat angles C4'-P-C4' energy: -75.082 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -96.742 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: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1075.685802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.685802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.685802 (E_RNA) where: Base-Base interactions energy: -764.516 where: short stacking energy: -294.483 Base-Backbone interact. energy: -1.339 local terms energy: -309.831609 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -60.784 flat angles C4'-P-C4' energy: -67.487 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -91.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -989.283506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.283506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.283506 (E_RNA) where: Base-Base interactions energy: -687.240 where: short stacking energy: -285.658 Base-Backbone interact. energy: 4.648 local terms energy: -306.691618 where: bonds (distance) C4'-P energy: -61.174 bonds (distance) P-C4' energy: -44.274 flat angles C4'-P-C4' energy: -71.149 flat angles P-C4'-P energy: -41.879 tors. eta vs tors. theta energy: -88.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -933.808040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.808040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.808040 (E_RNA) where: Base-Base interactions energy: -632.777 where: short stacking energy: -269.760 Base-Backbone interact. energy: -0.221 local terms energy: -300.809763 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -59.774 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -44.982 tors. eta vs tors. theta energy: -79.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -760.539319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.539319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.539319 (E_RNA) where: Base-Base interactions energy: -500.714 where: short stacking energy: -239.487 Base-Backbone interact. energy: 1.432 local terms energy: -261.257301 where: bonds (distance) C4'-P energy: -48.812 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -54.036 flat angles P-C4'-P energy: -41.047 tors. eta vs tors. theta energy: -55.547 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: 6 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -715.296138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.296138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.296138 (E_RNA) where: Base-Base interactions energy: -455.279 where: short stacking energy: -186.015 Base-Backbone interact. energy: -2.328 local terms energy: -257.689139 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -37.476 tors. eta vs tors. theta energy: -44.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -476.683054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.683054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.683054 (E_RNA) where: Base-Base interactions energy: -285.490 where: short stacking energy: -138.379 Base-Backbone interact. energy: -1.167 local terms energy: -190.025530 where: bonds (distance) C4'-P energy: -55.475 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -35.814 flat angles P-C4'-P energy: -34.191 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -414.790059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.790059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.790059 (E_RNA) where: Base-Base interactions energy: -208.588 where: short stacking energy: -112.823 Base-Backbone interact. energy: -1.330 local terms energy: -204.871678 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -54.445 flat angles C4'-P-C4' energy: -55.864 flat angles P-C4'-P energy: -32.279 tors. eta vs tors. theta energy: 0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1236.578526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.578526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.578526 (E_RNA) where: Base-Base interactions energy: -880.638 where: short stacking energy: -334.327 Base-Backbone interact. energy: -2.635 local terms energy: -353.306027 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -72.718 flat angles C4'-P-C4' energy: -73.556 flat angles P-C4'-P energy: -47.159 tors. eta vs tors. theta energy: -101.062 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1141.980732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.980732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.980732 (E_RNA) where: Base-Base interactions energy: -777.920 where: short stacking energy: -289.959 Base-Backbone interact. energy: -1.260 local terms energy: -362.800226 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -55.421 tors. eta vs tors. theta energy: -98.815 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: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1121.206603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.206603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.206603 (E_RNA) where: Base-Base interactions energy: -790.819 where: short stacking energy: -309.621 Base-Backbone interact. energy: 0.260 local terms energy: -330.647165 where: bonds (distance) C4'-P energy: -57.818 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -67.757 flat angles P-C4'-P energy: -37.583 tors. eta vs tors. theta energy: -97.539 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: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1060.759833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.759833 (E_RNA) where: Base-Base interactions energy: -741.731 where: short stacking energy: -289.865 Base-Backbone interact. energy: -1.510 local terms energy: -317.519078 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -57.472 flat angles C4'-P-C4' energy: -63.544 flat angles P-C4'-P energy: -49.212 tors. eta vs tors. theta energy: -85.756 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: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -991.629105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.629105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.629105 (E_RNA) where: Base-Base interactions energy: -679.347 where: short stacking energy: -267.492 Base-Backbone interact. energy: 0.141 local terms energy: -312.422366 where: bonds (distance) C4'-P energy: -64.798 bonds (distance) P-C4' energy: -60.011 flat angles C4'-P-C4' energy: -60.737 flat angles P-C4'-P energy: -44.667 tors. eta vs tors. theta energy: -82.209 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: 325 Temperature: 1.150000 Total energy: -936.174435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.174435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.174435 (E_RNA) where: Base-Base interactions energy: -649.147 where: short stacking energy: -255.369 Base-Backbone interact. energy: -1.183 local terms energy: -285.845272 where: bonds (distance) C4'-P energy: -45.009 bonds (distance) P-C4' energy: -56.167 flat angles C4'-P-C4' energy: -67.849 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -68.389 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: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -769.569759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.569759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.569759 (E_RNA) where: Base-Base interactions energy: -508.910 where: short stacking energy: -233.585 Base-Backbone interact. energy: 0.695 local terms energy: -261.354373 where: bonds (distance) C4'-P energy: -48.901 bonds (distance) P-C4' energy: -62.842 flat angles C4'-P-C4' energy: -58.620 flat angles P-C4'-P energy: -38.376 tors. eta vs tors. theta energy: -52.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -702.633116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.633116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.633116 (E_RNA) where: Base-Base interactions energy: -453.826 where: short stacking energy: -214.486 Base-Backbone interact. energy: -1.140 local terms energy: -247.666252 where: bonds (distance) C4'-P energy: -47.521 bonds (distance) P-C4' energy: -55.971 flat angles C4'-P-C4' energy: -60.746 flat angles P-C4'-P energy: -26.220 tors. eta vs tors. theta energy: -57.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -464.270092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.270092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.270092 (E_RNA) where: Base-Base interactions energy: -267.562 where: short stacking energy: -130.923 Base-Backbone interact. energy: -1.122 local terms energy: -195.586097 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -47.978 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -21.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -409.487849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.487849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.487849 (E_RNA) where: Base-Base interactions energy: -190.850 where: short stacking energy: -108.343 Base-Backbone interact. energy: -0.122 local terms energy: -218.515505 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -53.352 flat angles P-C4'-P energy: -27.214 tors. eta vs tors. theta energy: -9.301 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: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1247.165456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.165456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.165456 (E_RNA) where: Base-Base interactions energy: -891.800 where: short stacking energy: -325.373 Base-Backbone interact. energy: 0.246 local terms energy: -355.611204 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -73.760 flat angles C4'-P-C4' energy: -74.779 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: -97.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1155.068657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.068657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.068657 (E_RNA) where: Base-Base interactions energy: -816.575 where: short stacking energy: -323.091 Base-Backbone interact. energy: -0.204 local terms energy: -338.289610 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -64.087 flat angles C4'-P-C4' energy: -64.406 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -97.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1141.584530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.584530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.584530 (E_RNA) where: Base-Base interactions energy: -803.829 where: short stacking energy: -312.243 Base-Backbone interact. energy: 0.492 local terms energy: -338.247136 where: bonds (distance) C4'-P energy: -60.989 bonds (distance) P-C4' energy: -65.180 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -95.803 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: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1066.563813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.563813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.563813 (E_RNA) where: Base-Base interactions energy: -749.962 where: short stacking energy: -295.720 Base-Backbone interact. energy: -0.729 local terms energy: -315.872056 where: bonds (distance) C4'-P energy: -63.715 bonds (distance) P-C4' energy: -63.929 flat angles C4'-P-C4' energy: -64.392 flat angles P-C4'-P energy: -37.776 tors. eta vs tors. theta energy: -86.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -976.568923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.568923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.568923 (E_RNA) where: Base-Base interactions energy: -673.963 where: short stacking energy: -277.108 Base-Backbone interact. energy: -0.635 local terms energy: -301.970802 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -51.517 flat angles C4'-P-C4' energy: -64.701 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -86.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -924.699066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.699066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.699066 (E_RNA) where: Base-Base interactions energy: -628.470 where: short stacking energy: -258.133 Base-Backbone interact. energy: -0.533 local terms energy: -295.696299 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -52.455 flat angles C4'-P-C4' energy: -70.984 flat angles P-C4'-P energy: -38.307 tors. eta vs tors. theta energy: -73.676 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: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -697.741762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.741762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.741762 (E_RNA) where: Base-Base interactions energy: -443.049 where: short stacking energy: -201.858 Base-Backbone interact. energy: -1.677 local terms energy: -253.015472 where: bonds (distance) C4'-P energy: -55.895 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -60.855 flat angles P-C4'-P energy: -27.577 tors. eta vs tors. theta energy: -44.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -750.018537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.018537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.018537 (E_RNA) where: Base-Base interactions energy: -465.089 where: short stacking energy: -210.437 Base-Backbone interact. energy: -1.076 local terms energy: -283.852984 where: bonds (distance) C4'-P energy: -69.717 bonds (distance) P-C4' energy: -56.078 flat angles C4'-P-C4' energy: -65.095 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -54.013 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: 9, replica: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -482.037590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.037590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.037590 (E_RNA) where: Base-Base interactions energy: -263.204 where: short stacking energy: -131.625 Base-Backbone interact. energy: -1.515 local terms energy: -217.318445 where: bonds (distance) C4'-P energy: -45.960 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -38.964 flat angles P-C4'-P energy: -38.645 tors. eta vs tors. theta energy: -27.390 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: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -378.683916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.683916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.683916 (E_RNA) where: Base-Base interactions energy: -187.939 where: short stacking energy: -91.511 Base-Backbone interact. energy: -0.657 local terms energy: -190.087957 where: bonds (distance) C4'-P energy: -67.400 bonds (distance) P-C4' energy: -50.512 flat angles C4'-P-C4' energy: -58.053 flat angles P-C4'-P energy: -20.292 tors. eta vs tors. theta energy: 6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1212.871737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.871737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.871737 (E_RNA) where: Base-Base interactions energy: -870.024 where: short stacking energy: -326.839 Base-Backbone interact. energy: -0.209 local terms energy: -342.638475 where: bonds (distance) C4'-P energy: -67.340 bonds (distance) P-C4' energy: -62.531 flat angles C4'-P-C4' energy: -74.529 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -95.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1140.241691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.241691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.241691 (E_RNA) where: Base-Base interactions energy: -797.517 where: short stacking energy: -322.399 Base-Backbone interact. energy: -1.151 local terms energy: -341.574157 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -69.579 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -99.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1114.871187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.871187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.871187 (E_RNA) where: Base-Base interactions energy: -783.484 where: short stacking energy: -303.399 Base-Backbone interact. energy: -0.565 local terms energy: -330.822847 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -69.574 flat angles C4'-P-C4' energy: -64.747 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -90.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1064.520070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.520070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.520070 (E_RNA) where: Base-Base interactions energy: -750.435 where: short stacking energy: -294.636 Base-Backbone interact. energy: -0.067 local terms energy: -314.018408 where: bonds (distance) C4'-P energy: -64.325 bonds (distance) P-C4' energy: -56.789 flat angles C4'-P-C4' energy: -60.038 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -85.021 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: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1031.177091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.177091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.177091 (E_RNA) where: Base-Base interactions energy: -728.311 where: short stacking energy: -299.636 Base-Backbone interact. energy: 0.173 local terms energy: -303.038767 where: bonds (distance) C4'-P energy: -44.537 bonds (distance) P-C4' energy: -67.247 flat angles C4'-P-C4' energy: -61.402 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: -85.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -953.987098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.987098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.987098 (E_RNA) where: Base-Base interactions energy: -636.239 where: short stacking energy: -248.488 Base-Backbone interact. energy: -0.796 local terms energy: -316.951668 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -59.269 flat angles C4'-P-C4' energy: -70.525 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -76.443 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: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -714.263908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.263908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.263908 (E_RNA) where: Base-Base interactions energy: -460.163 where: short stacking energy: -203.036 Base-Backbone interact. energy: 3.822 local terms energy: -257.922623 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -54.855 flat angles P-C4'-P energy: -38.432 tors. eta vs tors. theta energy: -42.333 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: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -735.792007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.792007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.792007 (E_RNA) where: Base-Base interactions energy: -492.985 where: short stacking energy: -220.139 Base-Backbone interact. energy: 1.382 local terms energy: -244.189405 where: bonds (distance) C4'-P energy: -49.006 bonds (distance) P-C4' energy: -61.109 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -25.731 tors. eta vs tors. theta energy: -53.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -456.454824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.454824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.454824 (E_RNA) where: Base-Base interactions energy: -253.020 where: short stacking energy: -130.872 Base-Backbone interact. energy: -0.451 local terms energy: -202.983792 where: bonds (distance) C4'-P energy: -53.343 bonds (distance) P-C4' energy: -63.456 flat angles C4'-P-C4' energy: -51.718 flat angles P-C4'-P energy: -19.556 tors. eta vs tors. theta energy: -14.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -381.015281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.015281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.015281 (E_RNA) where: Base-Base interactions energy: -179.593 where: short stacking energy: -101.686 Base-Backbone interact. energy: 0.879 local terms energy: -202.301232 where: bonds (distance) C4'-P energy: -49.492 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -53.910 flat angles P-C4'-P energy: -22.714 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1237.224561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.224561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.224561 (E_RNA) where: Base-Base interactions energy: -879.207 where: short stacking energy: -337.051 Base-Backbone interact. energy: -1.962 local terms energy: -356.055759 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -76.398 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -36.756 tors. eta vs tors. theta energy: -102.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1141.909181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.909181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.909181 (E_RNA) where: Base-Base interactions energy: -798.753 where: short stacking energy: -332.334 Base-Backbone interact. energy: 2.112 local terms energy: -345.267689 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -58.717 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: -98.631 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: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1127.039682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.039682 (E_RNA) where: Base-Base interactions energy: -801.389 where: short stacking energy: -305.874 Base-Backbone interact. energy: 4.457 local terms energy: -330.107851 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -51.371 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -46.755 tors. eta vs tors. theta energy: -92.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1074.359028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.359028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.359028 (E_RNA) where: Base-Base interactions energy: -739.614 where: short stacking energy: -301.694 Base-Backbone interact. energy: -1.466 local terms energy: -333.278604 where: bonds (distance) C4'-P energy: -64.175 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: -84.356 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: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1031.021095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.021095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.021095 (E_RNA) where: Base-Base interactions energy: -710.638 where: short stacking energy: -294.527 Base-Backbone interact. energy: -1.535 local terms energy: -318.847749 where: bonds (distance) C4'-P energy: -48.565 bonds (distance) P-C4' energy: -52.776 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -93.176 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: 328 Temperature: 1.150000 Total energy: -912.393943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.393943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.393943 (E_RNA) where: Base-Base interactions energy: -610.240 where: short stacking energy: -244.869 Base-Backbone interact. energy: -1.023 local terms energy: -301.130773 where: bonds (distance) C4'-P energy: -61.510 bonds (distance) P-C4' energy: -69.022 flat angles C4'-P-C4' energy: -60.354 flat angles P-C4'-P energy: -36.566 tors. eta vs tors. theta energy: -73.678 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: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -725.733710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.733710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.733710 (E_RNA) where: Base-Base interactions energy: -477.992 where: short stacking energy: -201.616 Base-Backbone interact. energy: -1.780 local terms energy: -245.962204 where: bonds (distance) C4'-P energy: -58.257 bonds (distance) P-C4' energy: -51.826 flat angles C4'-P-C4' energy: -61.316 flat angles P-C4'-P energy: -35.240 tors. eta vs tors. theta energy: -39.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -705.651398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.651398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.651398 (E_RNA) where: Base-Base interactions energy: -444.309 where: short stacking energy: -197.042 Base-Backbone interact. energy: -1.699 local terms energy: -259.643414 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -61.182 flat angles C4'-P-C4' energy: -65.001 flat angles P-C4'-P energy: -28.580 tors. eta vs tors. theta energy: -49.982 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: 9, replica: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -424.069405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.069405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.069405 (E_RNA) where: Base-Base interactions energy: -230.095 where: short stacking energy: -98.894 Base-Backbone interact. energy: 3.847 local terms energy: -197.821332 where: bonds (distance) C4'-P energy: -50.588 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -48.670 flat angles P-C4'-P energy: -34.321 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -371.879482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.879482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.879482 (E_RNA) where: Base-Base interactions energy: -188.399 where: short stacking energy: -115.809 Base-Backbone interact. energy: -2.623 local terms energy: -180.856984 where: bonds (distance) C4'-P energy: -56.730 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -49.421 flat angles P-C4'-P energy: -21.524 tors. eta vs tors. theta energy: 4.349 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1228.279656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.279656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.279656 (E_RNA) where: Base-Base interactions energy: -871.805 where: short stacking energy: -326.606 Base-Backbone interact. energy: -2.002 local terms energy: -354.472766 where: bonds (distance) C4'-P energy: -69.963 bonds (distance) P-C4' energy: -59.219 flat angles C4'-P-C4' energy: -79.549 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -99.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1109.946998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.946998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.946998 (E_RNA) where: Base-Base interactions energy: -754.921 where: short stacking energy: -310.801 Base-Backbone interact. energy: -0.947 local terms energy: -354.079524 where: bonds (distance) C4'-P energy: -72.022 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -47.949 tors. eta vs tors. theta energy: -99.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1127.642078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.642078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.642078 (E_RNA) where: Base-Base interactions energy: -800.459 where: short stacking energy: -303.869 Base-Backbone interact. energy: -1.224 local terms energy: -325.959308 where: bonds (distance) C4'-P energy: -66.984 bonds (distance) P-C4' energy: -54.020 flat angles C4'-P-C4' energy: -68.859 flat angles P-C4'-P energy: -50.581 tors. eta vs tors. theta energy: -85.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1083.526294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.526294 (E_RNA) where: Base-Base interactions energy: -775.125 where: short stacking energy: -302.232 Base-Backbone interact. energy: -2.241 local terms energy: -306.160175 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -65.237 flat angles C4'-P-C4' energy: -67.963 flat angles P-C4'-P energy: -40.063 tors. eta vs tors. theta energy: -80.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1028.835097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.835097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.835097 (E_RNA) where: Base-Base interactions energy: -705.031 where: short stacking energy: -289.332 Base-Backbone interact. energy: -0.610 local terms energy: -323.194827 where: bonds (distance) C4'-P energy: -48.509 bonds (distance) P-C4' energy: -71.324 flat angles C4'-P-C4' energy: -68.208 flat angles P-C4'-P energy: -41.184 tors. eta vs tors. theta energy: -93.969 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: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -910.783279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.783279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.783279 (E_RNA) where: Base-Base interactions energy: -620.466 where: short stacking energy: -259.681 Base-Backbone interact. energy: -0.393 local terms energy: -289.923935 where: bonds (distance) C4'-P energy: -49.734 bonds (distance) P-C4' energy: -54.756 flat angles C4'-P-C4' energy: -68.651 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -76.880 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: 329 Temperature: 1.200000 Total energy: -799.082488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.082488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.082488 (E_RNA) where: Base-Base interactions energy: -523.975 where: short stacking energy: -234.442 Base-Backbone interact. energy: -0.093 local terms energy: -275.013631 where: bonds (distance) C4'-P energy: -48.849 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -61.095 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -61.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -711.284181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.284181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.284181 (E_RNA) where: Base-Base interactions energy: -455.775 where: short stacking energy: -210.723 Base-Backbone interact. energy: -1.560 local terms energy: -253.949214 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -55.462 flat angles C4'-P-C4' energy: -56.862 flat angles P-C4'-P energy: -32.004 tors. eta vs tors. theta energy: -40.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -404.830739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.830739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.830739 (E_RNA) where: Base-Base interactions energy: -199.206 where: short stacking energy: -115.325 Base-Backbone interact. energy: 1.505 local terms energy: -207.130234 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -61.355 flat angles C4'-P-C4' energy: -59.761 flat angles P-C4'-P energy: -24.204 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -391.994453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.994453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.994453 (E_RNA) where: Base-Base interactions energy: -202.405 where: short stacking energy: -107.329 Base-Backbone interact. energy: 3.022 local terms energy: -192.611440 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -47.257 flat angles P-C4'-P energy: -26.167 tors. eta vs tors. theta energy: -5.019 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: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1233.381879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.381879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.381879 (E_RNA) where: Base-Base interactions energy: -855.490 where: short stacking energy: -330.491 Base-Backbone interact. energy: -2.043 local terms energy: -375.849594 where: bonds (distance) C4'-P energy: -63.385 bonds (distance) P-C4' energy: -75.024 flat angles C4'-P-C4' energy: -81.137 flat angles P-C4'-P energy: -49.603 tors. eta vs tors. theta energy: -106.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1149.334871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.334871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.334871 (E_RNA) where: Base-Base interactions energy: -793.754 where: short stacking energy: -325.616 Base-Backbone interact. energy: -0.774 local terms energy: -354.807293 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -69.352 flat angles C4'-P-C4' energy: -72.496 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -95.276 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: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1098.274996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.274996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.274996 (E_RNA) where: Base-Base interactions energy: -770.325 where: short stacking energy: -289.431 Base-Backbone interact. energy: -1.816 local terms energy: -326.134803 where: bonds (distance) C4'-P energy: -55.914 bonds (distance) P-C4' energy: -59.760 flat angles C4'-P-C4' energy: -67.344 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -87.115 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: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1075.617069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.617069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.617069 (E_RNA) where: Base-Base interactions energy: -752.219 where: short stacking energy: -301.153 Base-Backbone interact. energy: -2.158 local terms energy: -321.239825 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -67.785 flat angles P-C4'-P energy: -31.692 tors. eta vs tors. theta energy: -98.777 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: 330 Temperature: 1.100000 Total energy: -1006.109330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.109330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.109330 (E_RNA) where: Base-Base interactions energy: -677.861 where: short stacking energy: -278.984 Base-Backbone interact. energy: -1.594 local terms energy: -326.653862 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -83.373 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: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -922.819635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.819635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.819635 (E_RNA) where: Base-Base interactions energy: -627.632 where: short stacking energy: -245.582 Base-Backbone interact. energy: -1.934 local terms energy: -293.253276 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -59.626 flat angles P-C4'-P energy: -43.263 tors. eta vs tors. theta energy: -71.962 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: 330 Temperature: 1.200000 Total energy: -814.264711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.264711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.264711 (E_RNA) where: Base-Base interactions energy: -539.941 where: short stacking energy: -217.410 Base-Backbone interact. energy: -1.429 local terms energy: -272.894190 where: bonds (distance) C4'-P energy: -42.981 bonds (distance) P-C4' energy: -66.977 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -33.018 tors. eta vs tors. theta energy: -70.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -723.217798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.217798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.217798 (E_RNA) where: Base-Base interactions energy: -474.846 where: short stacking energy: -204.492 Base-Backbone interact. energy: -0.077 local terms energy: -248.295302 where: bonds (distance) C4'-P energy: -46.992 bonds (distance) P-C4' energy: -55.981 flat angles C4'-P-C4' energy: -65.200 flat angles P-C4'-P energy: -32.951 tors. eta vs tors. theta energy: -47.173 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: 330 Temperature: 1.300000 Total energy: -433.900944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.900944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.900944 (E_RNA) where: Base-Base interactions energy: -241.607 where: short stacking energy: -133.813 Base-Backbone interact. energy: -1.833 local terms energy: -190.460531 where: bonds (distance) C4'-P energy: -46.413 bonds (distance) P-C4' energy: -57.220 flat angles C4'-P-C4' energy: -47.437 flat angles P-C4'-P energy: -32.817 tors. eta vs tors. theta energy: -6.575 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: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -396.623803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.623803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.623803 (E_RNA) where: Base-Base interactions energy: -211.604 where: short stacking energy: -117.096 Base-Backbone interact. energy: 2.600 local terms energy: -187.619872 where: bonds (distance) C4'-P energy: -51.545 bonds (distance) P-C4' energy: -62.386 flat angles C4'-P-C4' energy: -54.134 flat angles P-C4'-P energy: -22.911 tors. eta vs tors. theta energy: 3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1238.130571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.130571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.130571 (E_RNA) where: Base-Base interactions energy: -878.112 where: short stacking energy: -342.314 Base-Backbone interact. energy: -1.909 local terms energy: -358.108959 where: bonds (distance) C4'-P energy: -68.970 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -53.012 tors. eta vs tors. theta energy: -94.620 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: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1124.013292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.013292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.013292 (E_RNA) where: Base-Base interactions energy: -793.184 where: short stacking energy: -309.961 Base-Backbone interact. energy: -3.342 local terms energy: -327.487225 where: bonds (distance) C4'-P energy: -58.105 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -67.013 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -92.469 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: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1113.240951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.240951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.240951 (E_RNA) where: Base-Base interactions energy: -785.895 where: short stacking energy: -300.299 Base-Backbone interact. energy: 0.707 local terms energy: -328.052860 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -68.164 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -88.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1079.553587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.553587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.553587 (E_RNA) where: Base-Base interactions energy: -767.304 where: short stacking energy: -309.964 Base-Backbone interact. energy: -1.112 local terms energy: -311.136764 where: bonds (distance) C4'-P energy: -64.356 bonds (distance) P-C4' energy: -59.855 flat angles C4'-P-C4' energy: -59.186 flat angles P-C4'-P energy: -34.237 tors. eta vs tors. theta energy: -93.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1054.379099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.379099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.379099 (E_RNA) where: Base-Base interactions energy: -722.042 where: short stacking energy: -313.864 Base-Backbone interact. energy: -1.388 local terms energy: -330.949834 where: bonds (distance) C4'-P energy: -53.936 bonds (distance) P-C4' energy: -59.344 flat angles C4'-P-C4' energy: -72.107 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -99.333 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: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -933.604394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.604394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.604394 (E_RNA) where: Base-Base interactions energy: -619.508 where: short stacking energy: -252.646 Base-Backbone interact. energy: -1.028 local terms energy: -313.068071 where: bonds (distance) C4'-P energy: -53.041 bonds (distance) P-C4' energy: -50.979 flat angles C4'-P-C4' energy: -70.703 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -81.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -785.383462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.383462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.383462 (E_RNA) where: Base-Base interactions energy: -513.376 where: short stacking energy: -237.816 Base-Backbone interact. energy: -1.528 local terms energy: -270.478765 where: bonds (distance) C4'-P energy: -61.582 bonds (distance) P-C4' energy: -52.968 flat angles C4'-P-C4' energy: -55.895 flat angles P-C4'-P energy: -36.012 tors. eta vs tors. theta energy: -64.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -763.284443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.284443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.284443 (E_RNA) where: Base-Base interactions energy: -492.978 where: short stacking energy: -212.266 Base-Backbone interact. energy: -1.178 local terms energy: -269.128714 where: bonds (distance) C4'-P energy: -47.649 bonds (distance) P-C4' energy: -58.184 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -39.243 tors. eta vs tors. theta energy: -63.579 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: 331 Temperature: 1.300000 Total energy: -387.274712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.274712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.274712 (E_RNA) where: Base-Base interactions energy: -203.196 where: short stacking energy: -104.179 Base-Backbone interact. energy: -0.121 local terms energy: -183.957876 where: bonds (distance) C4'-P energy: -59.745 bonds (distance) P-C4' energy: -58.691 flat angles C4'-P-C4' energy: -39.558 flat angles P-C4'-P energy: -23.939 tors. eta vs tors. theta energy: -2.024 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: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -400.414306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.414306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.414306 (E_RNA) where: Base-Base interactions energy: -241.375 where: short stacking energy: -125.424 Base-Backbone interact. energy: -1.996 local terms energy: -157.043658 where: bonds (distance) C4'-P energy: -38.200 bonds (distance) P-C4' energy: -46.644 flat angles C4'-P-C4' energy: -37.040 flat angles P-C4'-P energy: -29.184 tors. eta vs tors. theta energy: -5.976 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: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1228.807461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.807461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.807461 (E_RNA) where: Base-Base interactions energy: -882.920 where: short stacking energy: -315.164 Base-Backbone interact. energy: 0.561 local terms energy: -346.448996 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -64.208 flat angles C4'-P-C4' energy: -77.017 flat angles P-C4'-P energy: -50.410 tors. eta vs tors. theta energy: -97.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1117.885403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.885403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.885403 (E_RNA) where: Base-Base interactions energy: -789.970 where: short stacking energy: -297.097 Base-Backbone interact. energy: -1.398 local terms energy: -326.517014 where: bonds (distance) C4'-P energy: -52.203 bonds (distance) P-C4' energy: -64.171 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -94.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1097.302407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.302407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.302407 (E_RNA) where: Base-Base interactions energy: -781.124 where: short stacking energy: -321.446 Base-Backbone interact. energy: -2.345 local terms energy: -313.833522 where: bonds (distance) C4'-P energy: -50.588 bonds (distance) P-C4' energy: -50.326 flat angles C4'-P-C4' energy: -72.487 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: -98.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1083.326604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.326604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.326604 (E_RNA) where: Base-Base interactions energy: -779.227 where: short stacking energy: -299.287 Base-Backbone interact. energy: -0.955 local terms energy: -303.143839 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -56.931 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: -86.130 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: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1037.542753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.542753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.542753 (E_RNA) where: Base-Base interactions energy: -709.932 where: short stacking energy: -295.006 Base-Backbone interact. energy: -0.962 local terms energy: -326.648940 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -46.676 flat angles C4'-P-C4' energy: -70.532 flat angles P-C4'-P energy: -48.832 tors. eta vs tors. theta energy: -92.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -936.552951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.552951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.552951 (E_RNA) where: Base-Base interactions energy: -650.625 where: short stacking energy: -261.805 Base-Backbone interact. energy: -2.333 local terms energy: -283.595341 where: bonds (distance) C4'-P energy: -51.178 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -61.881 flat angles P-C4'-P energy: -40.687 tors. eta vs tors. theta energy: -72.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -804.962118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.962118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.962118 (E_RNA) where: Base-Base interactions energy: -537.350 where: short stacking energy: -244.514 Base-Backbone interact. energy: -0.544 local terms energy: -267.067947 where: bonds (distance) C4'-P energy: -48.195 bonds (distance) P-C4' energy: -51.835 flat angles C4'-P-C4' energy: -57.748 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -63.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -698.552821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.552821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.552821 (E_RNA) where: Base-Base interactions energy: -446.295 where: short stacking energy: -176.472 Base-Backbone interact. energy: 0.469 local terms energy: -252.726104 where: bonds (distance) C4'-P energy: -44.913 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -54.939 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -43.935 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -392.728237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.728237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.728237 (E_RNA) where: Base-Base interactions energy: -192.804 where: short stacking energy: -104.065 Base-Backbone interact. energy: 0.123 local terms energy: -200.046303 where: bonds (distance) C4'-P energy: -56.041 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -53.580 flat angles P-C4'-P energy: -26.621 tors. eta vs tors. theta energy: -3.013 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: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -390.784090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.784090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.784090 (E_RNA) where: Base-Base interactions energy: -193.796 where: short stacking energy: -117.277 Base-Backbone interact. energy: -1.649 local terms energy: -195.339124 where: bonds (distance) C4'-P energy: -50.067 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -57.302 flat angles P-C4'-P energy: -27.287 tors. eta vs tors. theta energy: -4.872 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: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1223.974790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.974790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.974790 (E_RNA) where: Base-Base interactions energy: -880.664 where: short stacking energy: -333.451 Base-Backbone interact. energy: -2.296 local terms energy: -341.014264 where: bonds (distance) C4'-P energy: -63.856 bonds (distance) P-C4' energy: -70.251 flat angles C4'-P-C4' energy: -72.488 flat angles P-C4'-P energy: -39.593 tors. eta vs tors. theta energy: -94.826 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: 333 Temperature: 0.950000 Total energy: -1122.541318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.541318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.541318 (E_RNA) where: Base-Base interactions energy: -776.145 where: short stacking energy: -306.821 Base-Backbone interact. energy: -1.087 local terms energy: -345.309241 where: bonds (distance) C4'-P energy: -61.529 bonds (distance) P-C4' energy: -69.154 flat angles C4'-P-C4' energy: -70.126 flat angles P-C4'-P energy: -52.507 tors. eta vs tors. theta energy: -91.994 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: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1095.663757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.663757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.663757 (E_RNA) where: Base-Base interactions energy: -763.458 where: short stacking energy: -304.641 Base-Backbone interact. energy: -2.406 local terms energy: -329.800316 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -76.041 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -86.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1084.636537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.636537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.636537 (E_RNA) where: Base-Base interactions energy: -781.759 where: short stacking energy: -309.070 Base-Backbone interact. energy: -1.961 local terms energy: -300.916646 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -52.294 flat angles C4'-P-C4' energy: -58.173 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -82.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -982.652614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.652614 (E_RNA) where: Base-Base interactions energy: -671.082 where: short stacking energy: -293.014 Base-Backbone interact. energy: -1.424 local terms energy: -310.146305 where: bonds (distance) C4'-P energy: -50.258 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -60.116 flat angles P-C4'-P energy: -46.470 tors. eta vs tors. theta energy: -90.571 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: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -930.217638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.217638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.217638 (E_RNA) where: Base-Base interactions energy: -627.140 where: short stacking energy: -257.796 Base-Backbone interact. energy: -1.573 local terms energy: -301.504876 where: bonds (distance) C4'-P energy: -64.737 bonds (distance) P-C4' energy: -60.586 flat angles C4'-P-C4' energy: -68.625 flat angles P-C4'-P energy: -31.783 tors. eta vs tors. theta energy: -75.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -791.859729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.859729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.859729 (E_RNA) where: Base-Base interactions energy: -530.776 where: short stacking energy: -222.391 Base-Backbone interact. energy: -2.215 local terms energy: -258.869259 where: bonds (distance) C4'-P energy: -50.410 bonds (distance) P-C4' energy: -52.614 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -61.281 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: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -582.594157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.594157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.594157 (E_RNA) where: Base-Base interactions energy: -333.499 where: short stacking energy: -141.521 Base-Backbone interact. energy: -1.071 local terms energy: -248.023487 where: bonds (distance) C4'-P energy: -63.916 bonds (distance) P-C4' energy: -58.015 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -29.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -384.499514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.499514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.499514 (E_RNA) where: Base-Base interactions energy: -199.160 where: short stacking energy: -117.346 Base-Backbone interact. energy: -0.525 local terms energy: -184.814284 where: bonds (distance) C4'-P energy: -53.206 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -18.423 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -359.332355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.332355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.332355 (E_RNA) where: Base-Base interactions energy: -195.292 where: short stacking energy: -111.072 Base-Backbone interact. energy: -0.064 local terms energy: -163.976045 where: bonds (distance) C4'-P energy: -43.630 bonds (distance) P-C4' energy: -39.022 flat angles C4'-P-C4' energy: -48.985 flat angles P-C4'-P energy: -24.065 tors. eta vs tors. theta energy: -8.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1234.653452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.653452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.653452 (E_RNA) where: Base-Base interactions energy: -895.601 where: short stacking energy: -333.467 Base-Backbone interact. energy: 1.954 local terms energy: -341.005768 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -62.202 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -100.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1086.127819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.127819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.127819 (E_RNA) where: Base-Base interactions energy: -758.352 where: short stacking energy: -321.690 Base-Backbone interact. energy: -0.090 local terms energy: -327.685280 where: bonds (distance) C4'-P energy: -66.503 bonds (distance) P-C4' energy: -66.072 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -38.885 tors. eta vs tors. theta energy: -87.726 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: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1089.657899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.657899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.657899 (E_RNA) where: Base-Base interactions energy: -763.534 where: short stacking energy: -314.879 Base-Backbone interact. energy: -1.680 local terms energy: -324.444219 where: bonds (distance) C4'-P energy: -65.360 bonds (distance) P-C4' energy: -57.927 flat angles C4'-P-C4' energy: -65.939 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -89.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1086.455398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.455398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.455398 (E_RNA) where: Base-Base interactions energy: -773.636 where: short stacking energy: -301.607 Base-Backbone interact. energy: -1.447 local terms energy: -311.372057 where: bonds (distance) C4'-P energy: -70.377 bonds (distance) P-C4' energy: -57.952 flat angles C4'-P-C4' energy: -66.726 flat angles P-C4'-P energy: -38.196 tors. eta vs tors. theta energy: -78.120 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: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -975.521077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.521077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.521077 (E_RNA) where: Base-Base interactions energy: -667.095 where: short stacking energy: -272.854 Base-Backbone interact. energy: -2.116 local terms energy: -306.310324 where: bonds (distance) C4'-P energy: -47.679 bonds (distance) P-C4' energy: -63.103 flat angles C4'-P-C4' energy: -64.255 flat angles P-C4'-P energy: -50.171 tors. eta vs tors. theta energy: -81.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -928.343204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.343204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.343204 (E_RNA) where: Base-Base interactions energy: -665.637 where: short stacking energy: -258.093 Base-Backbone interact. energy: -1.218 local terms energy: -261.488562 where: bonds (distance) C4'-P energy: -52.426 bonds (distance) P-C4' energy: -42.685 flat angles C4'-P-C4' energy: -63.943 flat angles P-C4'-P energy: -33.232 tors. eta vs tors. theta energy: -69.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -762.917533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.917533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.917533 (E_RNA) where: Base-Base interactions energy: -509.666 where: short stacking energy: -204.433 Base-Backbone interact. energy: -0.086 local terms energy: -253.165639 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -56.333 flat angles P-C4'-P energy: -33.814 tors. eta vs tors. theta energy: -49.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -621.882002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.882002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.882002 (E_RNA) where: Base-Base interactions energy: -376.550 where: short stacking energy: -189.418 Base-Backbone interact. energy: -0.609 local terms energy: -244.722241 where: bonds (distance) C4'-P energy: -47.837 bonds (distance) P-C4' energy: -56.453 flat angles C4'-P-C4' energy: -53.184 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -42.829 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -420.892431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.892431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.892431 (E_RNA) where: Base-Base interactions energy: -229.338 where: short stacking energy: -123.028 Base-Backbone interact. energy: 0.555 local terms energy: -192.109343 where: bonds (distance) C4'-P energy: -52.750 bonds (distance) P-C4' energy: -55.134 flat angles C4'-P-C4' energy: -50.393 flat angles P-C4'-P energy: -24.033 tors. eta vs tors. theta energy: -9.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -362.517918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.517918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.517918 (E_RNA) where: Base-Base interactions energy: -171.601 where: short stacking energy: -101.304 Base-Backbone interact. energy: -0.423 local terms energy: -190.493145 where: bonds (distance) C4'-P energy: -48.014 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -40.861 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1222.688410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.688410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.688410 (E_RNA) where: Base-Base interactions energy: -880.435 where: short stacking energy: -339.388 Base-Backbone interact. energy: -1.017 local terms energy: -341.235598 where: bonds (distance) C4'-P energy: -64.423 bonds (distance) P-C4' energy: -70.415 flat angles C4'-P-C4' energy: -66.324 flat angles P-C4'-P energy: -40.091 tors. eta vs tors. theta energy: -99.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1095.451896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.451896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.451896 (E_RNA) where: Base-Base interactions energy: -793.362 where: short stacking energy: -300.156 Base-Backbone interact. energy: -4.390 local terms energy: -297.699469 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -48.160 flat angles C4'-P-C4' energy: -66.465 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -83.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1079.942490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.942490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.942490 (E_RNA) where: Base-Base interactions energy: -758.050 where: short stacking energy: -288.728 Base-Backbone interact. energy: -0.954 local terms energy: -320.939247 where: bonds (distance) C4'-P energy: -55.553 bonds (distance) P-C4' energy: -68.602 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -82.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1088.077643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.077643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.077643 (E_RNA) where: Base-Base interactions energy: -754.114 where: short stacking energy: -305.500 Base-Backbone interact. energy: -3.439 local terms energy: -330.524644 where: bonds (distance) C4'-P energy: -60.481 bonds (distance) P-C4' energy: -62.799 flat angles C4'-P-C4' energy: -73.827 flat angles P-C4'-P energy: -45.376 tors. eta vs tors. theta energy: -88.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1006.309386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.309386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.309386 (E_RNA) where: Base-Base interactions energy: -708.706 where: short stacking energy: -304.463 Base-Backbone interact. energy: 0.879 local terms energy: -298.483043 where: bonds (distance) C4'-P energy: -52.206 bonds (distance) P-C4' energy: -65.036 flat angles C4'-P-C4' energy: -63.731 flat angles P-C4'-P energy: -31.869 tors. eta vs tors. theta energy: -85.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -913.116618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.116618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.116618 (E_RNA) where: Base-Base interactions energy: -620.931 where: short stacking energy: -260.175 Base-Backbone interact. energy: -0.378 local terms energy: -291.807283 where: bonds (distance) C4'-P energy: -58.256 bonds (distance) P-C4' energy: -55.476 flat angles C4'-P-C4' energy: -67.625 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -70.369 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: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -795.917928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.917928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.917928 (E_RNA) where: Base-Base interactions energy: -524.134 where: short stacking energy: -216.355 Base-Backbone interact. energy: -0.795 local terms energy: -270.988950 where: bonds (distance) C4'-P energy: -53.117 bonds (distance) P-C4' energy: -46.789 flat angles C4'-P-C4' energy: -67.494 flat angles P-C4'-P energy: -39.297 tors. eta vs tors. theta energy: -64.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -610.987437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.987437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.987437 (E_RNA) where: Base-Base interactions energy: -373.934 where: short stacking energy: -161.383 Base-Backbone interact. energy: -0.575 local terms energy: -236.479000 where: bonds (distance) C4'-P energy: -51.178 bonds (distance) P-C4' energy: -67.123 flat angles C4'-P-C4' energy: -52.481 flat angles P-C4'-P energy: -34.768 tors. eta vs tors. theta energy: -30.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -365.070390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.070390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.070390 (E_RNA) where: Base-Base interactions energy: -183.117 where: short stacking energy: -101.096 Base-Backbone interact. energy: -1.875 local terms energy: -180.078877 where: bonds (distance) C4'-P energy: -46.093 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -50.860 flat angles P-C4'-P energy: -34.622 tors. eta vs tors. theta energy: 5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -334.745297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.745297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.745297 (E_RNA) where: Base-Base interactions energy: -172.424 where: short stacking energy: -93.240 Base-Backbone interact. energy: -1.195 local terms energy: -161.126011 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -53.660 flat angles C4'-P-C4' energy: -46.679 flat angles P-C4'-P energy: -14.480 tors. eta vs tors. theta energy: 9.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1231.867429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.867429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.867429 (E_RNA) where: Base-Base interactions energy: -888.389 where: short stacking energy: -332.860 Base-Backbone interact. energy: 2.846 local terms energy: -346.324336 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -70.350 flat angles P-C4'-P energy: -47.970 tors. eta vs tors. theta energy: -93.584 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: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1108.905214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.905214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.905214 (E_RNA) where: Base-Base interactions energy: -786.585 where: short stacking energy: -320.646 Base-Backbone interact. energy: 0.012 local terms energy: -322.332979 where: bonds (distance) C4'-P energy: -65.530 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -58.514 flat angles P-C4'-P energy: -44.514 tors. eta vs tors. theta energy: -93.406 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: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1096.133514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.133514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.133514 (E_RNA) where: Base-Base interactions energy: -746.094 where: short stacking energy: -296.465 Base-Backbone interact. energy: -2.005 local terms energy: -348.035214 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -63.540 flat angles C4'-P-C4' energy: -73.757 flat angles P-C4'-P energy: -52.544 tors. eta vs tors. theta energy: -90.272 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1045.929137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.929137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.929137 (E_RNA) where: Base-Base interactions energy: -734.673 where: short stacking energy: -282.334 Base-Backbone interact. energy: -0.968 local terms energy: -310.287677 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -58.913 flat angles C4'-P-C4' energy: -70.295 flat angles P-C4'-P energy: -35.476 tors. eta vs tors. theta energy: -81.913 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: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1035.165687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.165687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.165687 (E_RNA) where: Base-Base interactions energy: -720.995 where: short stacking energy: -302.702 Base-Backbone interact. energy: -0.770 local terms energy: -313.400442 where: bonds (distance) C4'-P energy: -52.912 bonds (distance) P-C4' energy: -54.379 flat angles C4'-P-C4' energy: -63.661 flat angles P-C4'-P energy: -51.980 tors. eta vs tors. theta energy: -90.468 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: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -931.378465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.378465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.378465 (E_RNA) where: Base-Base interactions energy: -640.191 where: short stacking energy: -251.899 Base-Backbone interact. energy: 0.188 local terms energy: -291.374688 where: bonds (distance) C4'-P energy: -58.781 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -60.369 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -65.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -830.756342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.756342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.756342 (E_RNA) where: Base-Base interactions energy: -542.169 where: short stacking energy: -241.593 Base-Backbone interact. energy: -1.053 local terms energy: -287.534261 where: bonds (distance) C4'-P energy: -56.446 bonds (distance) P-C4' energy: -65.290 flat angles C4'-P-C4' energy: -58.807 flat angles P-C4'-P energy: -38.927 tors. eta vs tors. theta energy: -68.064 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: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -619.416392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.416392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.416392 (E_RNA) where: Base-Base interactions energy: -369.495 where: short stacking energy: -170.712 Base-Backbone interact. energy: -1.622 local terms energy: -248.299897 where: bonds (distance) C4'-P energy: -51.171 bonds (distance) P-C4' energy: -49.227 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -38.988 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: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -417.804909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.804909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.804909 (E_RNA) where: Base-Base interactions energy: -234.196 where: short stacking energy: -122.417 Base-Backbone interact. energy: -1.166 local terms energy: -182.443055 where: bonds (distance) C4'-P energy: -47.754 bonds (distance) P-C4' energy: -56.076 flat angles C4'-P-C4' energy: -45.022 flat angles P-C4'-P energy: -32.942 tors. eta vs tors. theta energy: -0.649 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: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -324.330106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.330106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.330106 (E_RNA) where: Base-Base interactions energy: -154.660 where: short stacking energy: -80.672 Base-Backbone interact. energy: -0.586 local terms energy: -169.084326 where: bonds (distance) C4'-P energy: -49.473 bonds (distance) P-C4' energy: -61.593 flat angles C4'-P-C4' energy: -37.647 flat angles P-C4'-P energy: -30.990 tors. eta vs tors. theta energy: 10.619 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: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1234.438314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.438314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.438314 (E_RNA) where: Base-Base interactions energy: -878.888 where: short stacking energy: -333.593 Base-Backbone interact. energy: -1.126 local terms energy: -354.424051 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -63.677 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: -96.276 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: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1136.640437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.640437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.640437 (E_RNA) where: Base-Base interactions energy: -802.059 where: short stacking energy: -317.356 Base-Backbone interact. energy: -1.199 local terms energy: -333.382802 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -70.500 flat angles P-C4'-P energy: -50.222 tors. eta vs tors. theta energy: -95.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1078.552243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.552243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.552243 (E_RNA) where: Base-Base interactions energy: -747.389 where: short stacking energy: -317.143 Base-Backbone interact. energy: -1.918 local terms energy: -329.244870 where: bonds (distance) C4'-P energy: -68.692 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -69.837 flat angles P-C4'-P energy: -46.035 tors. eta vs tors. theta energy: -84.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1075.255712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.255712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.255712 (E_RNA) where: Base-Base interactions energy: -737.239 where: short stacking energy: -300.693 Base-Backbone interact. energy: -1.418 local terms energy: -336.599047 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -60.985 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -90.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1037.150773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.150773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.150773 (E_RNA) where: Base-Base interactions energy: -734.331 where: short stacking energy: -280.501 Base-Backbone interact. energy: -0.519 local terms energy: -302.300876 where: bonds (distance) C4'-P energy: -50.956 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -64.830 flat angles P-C4'-P energy: -44.203 tors. eta vs tors. theta energy: -78.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -928.665851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.665851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.665851 (E_RNA) where: Base-Base interactions energy: -642.817 where: short stacking energy: -262.172 Base-Backbone interact. energy: -3.150 local terms energy: -282.698742 where: bonds (distance) C4'-P energy: -52.977 bonds (distance) P-C4' energy: -60.403 flat angles C4'-P-C4' energy: -60.685 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -70.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -822.931121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.931121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.931121 (E_RNA) where: Base-Base interactions energy: -540.905 where: short stacking energy: -228.844 Base-Backbone interact. energy: -0.249 local terms energy: -281.777380 where: bonds (distance) C4'-P energy: -60.621 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -57.868 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -65.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -603.885099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.885099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.885099 (E_RNA) where: Base-Base interactions energy: -395.178 where: short stacking energy: -182.850 Base-Backbone interact. energy: 5.010 local terms energy: -213.717687 where: bonds (distance) C4'-P energy: -45.553 bonds (distance) P-C4' energy: -52.279 flat angles C4'-P-C4' energy: -48.015 flat angles P-C4'-P energy: -31.418 tors. eta vs tors. theta energy: -36.452 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: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -406.018786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.018786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.018786 (E_RNA) where: Base-Base interactions energy: -204.034 where: short stacking energy: -116.534 Base-Backbone interact. energy: -0.587 local terms energy: -201.397578 where: bonds (distance) C4'-P energy: -57.595 bonds (distance) P-C4' energy: -52.310 flat angles C4'-P-C4' energy: -51.840 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -2.328 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: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -378.173748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.173748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.173748 (E_RNA) where: Base-Base interactions energy: -183.172 where: short stacking energy: -93.084 Base-Backbone interact. energy: -2.011 local terms energy: -192.991132 where: bonds (distance) C4'-P energy: -53.874 bonds (distance) P-C4' energy: -61.972 flat angles C4'-P-C4' energy: -55.429 flat angles P-C4'-P energy: -20.821 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1228.643646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.643646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.643646 (E_RNA) where: Base-Base interactions energy: -883.090 where: short stacking energy: -328.134 Base-Backbone interact. energy: -0.872 local terms energy: -344.681779 where: bonds (distance) C4'-P energy: -68.150 bonds (distance) P-C4' energy: -61.708 flat angles C4'-P-C4' energy: -82.214 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -92.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1128.521843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.521843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.521843 (E_RNA) where: Base-Base interactions energy: -777.966 where: short stacking energy: -331.279 Base-Backbone interact. energy: -2.015 local terms energy: -348.539904 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -59.427 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -102.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1074.719149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.719149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.719149 (E_RNA) where: Base-Base interactions energy: -751.983 where: short stacking energy: -288.326 Base-Backbone interact. energy: -1.738 local terms energy: -320.998136 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -69.642 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -42.011 tors. eta vs tors. theta energy: -77.018 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: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1042.186169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.186169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.186169 (E_RNA) where: Base-Base interactions energy: -711.982 where: short stacking energy: -285.666 Base-Backbone interact. energy: -0.780 local terms energy: -329.423836 where: bonds (distance) C4'-P energy: -48.288 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -77.589 flat angles P-C4'-P energy: -48.516 tors. eta vs tors. theta energy: -90.007 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: 338 Temperature: 1.100000 Total energy: -1026.696479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.696479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.696479 (E_RNA) where: Base-Base interactions energy: -730.994 where: short stacking energy: -287.115 Base-Backbone interact. energy: -1.484 local terms energy: -294.218608 where: bonds (distance) C4'-P energy: -57.158 bonds (distance) P-C4' energy: -54.580 flat angles C4'-P-C4' energy: -60.085 flat angles P-C4'-P energy: -46.811 tors. eta vs tors. theta energy: -75.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -897.745192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.745192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.745192 (E_RNA) where: Base-Base interactions energy: -603.440 where: short stacking energy: -228.130 Base-Backbone interact. energy: -0.290 local terms energy: -294.015039 where: bonds (distance) C4'-P energy: -59.838 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -59.686 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: -63.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -767.011827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.011827 (E_RNA) where: Base-Base interactions energy: -491.592 where: short stacking energy: -216.262 Base-Backbone interact. energy: -1.518 local terms energy: -273.901029 where: bonds (distance) C4'-P energy: -53.485 bonds (distance) P-C4' energy: -58.906 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -37.906 tors. eta vs tors. theta energy: -59.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -563.068241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.068241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.068241 (E_RNA) where: Base-Base interactions energy: -324.975 where: short stacking energy: -157.612 Base-Backbone interact. energy: 0.744 local terms energy: -238.837248 where: bonds (distance) C4'-P energy: -69.485 bonds (distance) P-C4' energy: -49.057 flat angles C4'-P-C4' energy: -57.760 flat angles P-C4'-P energy: -34.986 tors. eta vs tors. theta energy: -27.550 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: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -407.417795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.417795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.417795 (E_RNA) where: Base-Base interactions energy: -220.755 where: short stacking energy: -123.397 Base-Backbone interact. energy: 0.122 local terms energy: -186.784565 where: bonds (distance) C4'-P energy: -42.852 bonds (distance) P-C4' energy: -49.965 flat angles C4'-P-C4' energy: -50.380 flat angles P-C4'-P energy: -31.407 tors. eta vs tors. theta energy: -12.181 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: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -382.377894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.377894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.377894 (E_RNA) where: Base-Base interactions energy: -178.494 where: short stacking energy: -92.628 Base-Backbone interact. energy: 0.347 local terms energy: -204.231647 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -58.874 flat angles P-C4'-P energy: -23.572 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1221.459901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.459901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.459901 (E_RNA) where: Base-Base interactions energy: -875.125 where: short stacking energy: -315.418 Base-Backbone interact. energy: -1.994 local terms energy: -344.340768 where: bonds (distance) C4'-P energy: -54.924 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -76.759 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -91.172 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: 339 Temperature: 0.950000 Total energy: -1133.109163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.109163 (E_RNA) where: Base-Base interactions energy: -791.704 where: short stacking energy: -339.327 Base-Backbone interact. energy: -0.079 local terms energy: -341.326394 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -69.787 flat angles P-C4'-P energy: -42.217 tors. eta vs tors. theta energy: -102.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1053.187261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.187261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.187261 (E_RNA) where: Base-Base interactions energy: -740.296 where: short stacking energy: -293.625 Base-Backbone interact. energy: -1.416 local terms energy: -311.475135 where: bonds (distance) C4'-P energy: -54.982 bonds (distance) P-C4' energy: -70.281 flat angles C4'-P-C4' energy: -64.868 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -74.949 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: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1046.530988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.530988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.530988 (E_RNA) where: Base-Base interactions energy: -709.513 where: short stacking energy: -289.556 Base-Backbone interact. energy: -0.861 local terms energy: -336.157088 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -62.410 flat angles C4'-P-C4' energy: -63.756 flat angles P-C4'-P energy: -56.480 tors. eta vs tors. theta energy: -93.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1040.006199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.006199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.006199 (E_RNA) where: Base-Base interactions energy: -725.524 where: short stacking energy: -293.468 Base-Backbone interact. energy: -0.055 local terms energy: -314.426713 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -53.092 flat angles C4'-P-C4' energy: -67.562 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -84.906 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: 6, replica: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -902.604471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.604471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.604471 (E_RNA) where: Base-Base interactions energy: -612.057 where: short stacking energy: -244.983 Base-Backbone interact. energy: -1.174 local terms energy: -289.373834 where: bonds (distance) C4'-P energy: -51.206 bonds (distance) P-C4' energy: -59.627 flat angles C4'-P-C4' energy: -65.348 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: -72.695 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: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -786.122017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.122017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.122017 (E_RNA) where: Base-Base interactions energy: -504.742 where: short stacking energy: -212.784 Base-Backbone interact. energy: 0.027 local terms energy: -281.407105 where: bonds (distance) C4'-P energy: -69.549 bonds (distance) P-C4' energy: -61.653 flat angles C4'-P-C4' energy: -62.325 flat angles P-C4'-P energy: -30.614 tors. eta vs tors. theta energy: -57.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -576.825855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.825855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.825855 (E_RNA) where: Base-Base interactions energy: -345.055 where: short stacking energy: -174.252 Base-Backbone interact. energy: -2.395 local terms energy: -229.375706 where: bonds (distance) C4'-P energy: -53.417 bonds (distance) P-C4' energy: -58.815 flat angles C4'-P-C4' energy: -49.427 flat angles P-C4'-P energy: -30.341 tors. eta vs tors. theta energy: -37.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -391.680251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.680251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.680251 (E_RNA) where: Base-Base interactions energy: -172.324 where: short stacking energy: -98.714 Base-Backbone interact. energy: 1.065 local terms energy: -220.422102 where: bonds (distance) C4'-P energy: -62.231 bonds (distance) P-C4' energy: -56.517 flat angles C4'-P-C4' energy: -54.034 flat angles P-C4'-P energy: -34.728 tors. eta vs tors. theta energy: -12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -402.159975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.159975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.159975 (E_RNA) where: Base-Base interactions energy: -201.978 where: short stacking energy: -127.652 Base-Backbone interact. energy: -1.517 local terms energy: -198.665396 where: bonds (distance) C4'-P energy: -54.163 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -47.502 flat angles P-C4'-P energy: -30.032 tors. eta vs tors. theta energy: -11.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1217.671538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.671538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.671538 (E_RNA) where: Base-Base interactions energy: -889.565 where: short stacking energy: -333.768 Base-Backbone interact. energy: 3.403 local terms energy: -331.509896 where: bonds (distance) C4'-P energy: -65.606 bonds (distance) P-C4' energy: -58.924 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: -93.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1105.469863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.469863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.469863 (E_RNA) where: Base-Base interactions energy: -761.221 where: short stacking energy: -309.986 Base-Backbone interact. energy: 0.180 local terms energy: -344.429018 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -70.605 flat angles C4'-P-C4' energy: -68.879 flat angles P-C4'-P energy: -49.057 tors. eta vs tors. theta energy: -91.590 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: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1075.880471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.880471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.880471 (E_RNA) where: Base-Base interactions energy: -742.667 where: short stacking energy: -296.125 Base-Backbone interact. energy: 0.344 local terms energy: -333.557214 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -63.896 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -89.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1070.730432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.730432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.730432 (E_RNA) where: Base-Base interactions energy: -739.692 where: short stacking energy: -319.927 Base-Backbone interact. energy: 0.068 local terms energy: -331.106865 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -60.271 flat angles C4'-P-C4' energy: -63.758 flat angles P-C4'-P energy: -42.392 tors. eta vs tors. theta energy: -101.562 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: 340 Temperature: 1.100000 Total energy: -1043.461872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.461872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.461872 (E_RNA) where: Base-Base interactions energy: -729.779 where: short stacking energy: -281.510 Base-Backbone interact. energy: -0.549 local terms energy: -313.134300 where: bonds (distance) C4'-P energy: -54.766 bonds (distance) P-C4' energy: -61.185 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -44.417 tors. eta vs tors. theta energy: -79.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -900.634575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.634575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.634575 (E_RNA) where: Base-Base interactions energy: -598.185 where: short stacking energy: -247.207 Base-Backbone interact. energy: -0.230 local terms energy: -302.219185 where: bonds (distance) C4'-P energy: -64.745 bonds (distance) P-C4' energy: -63.665 flat angles C4'-P-C4' energy: -65.893 flat angles P-C4'-P energy: -43.162 tors. eta vs tors. theta energy: -64.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -795.898284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.898284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.898284 (E_RNA) where: Base-Base interactions energy: -521.309 where: short stacking energy: -230.663 Base-Backbone interact. energy: -0.963 local terms energy: -273.626056 where: bonds (distance) C4'-P energy: -50.144 bonds (distance) P-C4' energy: -57.653 flat angles C4'-P-C4' energy: -65.881 flat angles P-C4'-P energy: -41.670 tors. eta vs tors. theta energy: -58.278 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: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -600.302830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.302830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.302830 (E_RNA) where: Base-Base interactions energy: -351.628 where: short stacking energy: -165.472 Base-Backbone interact. energy: -1.318 local terms energy: -247.356189 where: bonds (distance) C4'-P energy: -45.005 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -61.661 flat angles P-C4'-P energy: -32.696 tors. eta vs tors. theta energy: -47.477 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: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -406.730960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.730960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.730960 (E_RNA) where: Base-Base interactions energy: -194.302 where: short stacking energy: -121.213 Base-Backbone interact. energy: 4.692 local terms energy: -217.120461 where: bonds (distance) C4'-P energy: -57.360 bonds (distance) P-C4' energy: -60.592 flat angles C4'-P-C4' energy: -57.110 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -3.492 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: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -388.206109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.206109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.206109 (E_RNA) where: Base-Base interactions energy: -195.695 where: short stacking energy: -114.043 Base-Backbone interact. energy: 5.484 local terms energy: -197.995047 where: bonds (distance) C4'-P energy: -59.092 bonds (distance) P-C4' energy: -51.626 flat angles C4'-P-C4' energy: -58.401 flat angles P-C4'-P energy: -27.544 tors. eta vs tors. theta energy: -1.333 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1212.752845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.752845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.752845 (E_RNA) where: Base-Base interactions energy: -886.710 where: short stacking energy: -325.544 Base-Backbone interact. energy: 1.034 local terms energy: -327.076184 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -42.207 tors. eta vs tors. theta energy: -86.222 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: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1094.146241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.146241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.146241 (E_RNA) where: Base-Base interactions energy: -754.532 where: short stacking energy: -309.445 Base-Backbone interact. energy: -0.890 local terms energy: -338.725112 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -63.406 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1089.211888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.211888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.211888 (E_RNA) where: Base-Base interactions energy: -752.777 where: short stacking energy: -301.713 Base-Backbone interact. energy: -1.091 local terms energy: -335.344147 where: bonds (distance) C4'-P energy: -67.593 bonds (distance) P-C4' energy: -72.563 flat angles C4'-P-C4' energy: -67.025 flat angles P-C4'-P energy: -42.947 tors. eta vs tors. theta energy: -85.217 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: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1081.603773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.603773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.603773 (E_RNA) where: Base-Base interactions energy: -749.178 where: short stacking energy: -293.238 Base-Backbone interact. energy: -1.719 local terms energy: -330.706711 where: bonds (distance) C4'-P energy: -66.092 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -71.450 flat angles P-C4'-P energy: -49.936 tors. eta vs tors. theta energy: -76.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1029.495904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.495904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.495904 (E_RNA) where: Base-Base interactions energy: -699.954 where: short stacking energy: -299.416 Base-Backbone interact. energy: -2.158 local terms energy: -327.383907 where: bonds (distance) C4'-P energy: -58.690 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -72.022 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -91.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -867.440552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.440552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.440552 (E_RNA) where: Base-Base interactions energy: -590.906 where: short stacking energy: -245.108 Base-Backbone interact. energy: -3.338 local terms energy: -273.196706 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -65.024 flat angles P-C4'-P energy: -24.485 tors. eta vs tors. theta energy: -68.259 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -772.972294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.972294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.972294 (E_RNA) where: Base-Base interactions energy: -521.326 where: short stacking energy: -233.087 Base-Backbone interact. energy: -0.339 local terms energy: -251.307216 where: bonds (distance) C4'-P energy: -48.513 bonds (distance) P-C4' energy: -54.128 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -37.705 tors. eta vs tors. theta energy: -51.005 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: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -600.110244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.110244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.110244 (E_RNA) where: Base-Base interactions energy: -356.139 where: short stacking energy: -150.777 Base-Backbone interact. energy: 1.258 local terms energy: -245.229591 where: bonds (distance) C4'-P energy: -65.372 bonds (distance) P-C4' energy: -65.743 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -32.230 tors. eta vs tors. theta energy: -27.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -400.665217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.665217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.665217 (E_RNA) where: Base-Base interactions energy: -197.734 where: short stacking energy: -100.088 Base-Backbone interact. energy: -2.534 local terms energy: -200.397492 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -55.791 flat angles C4'-P-C4' energy: -34.704 flat angles P-C4'-P energy: -31.191 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: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -387.666593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.666593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.666593 (E_RNA) where: Base-Base interactions energy: -194.174 where: short stacking energy: -107.651 Base-Backbone interact. energy: 1.680 local terms energy: -195.172490 where: bonds (distance) C4'-P energy: -63.200 bonds (distance) P-C4' energy: -55.350 flat angles C4'-P-C4' energy: -61.465 flat angles P-C4'-P energy: -15.041 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1213.209240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.209240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.209240 (E_RNA) where: Base-Base interactions energy: -859.111 where: short stacking energy: -332.790 Base-Backbone interact. energy: -0.493 local terms energy: -353.605612 where: bonds (distance) C4'-P energy: -68.958 bonds (distance) P-C4' energy: -69.604 flat angles C4'-P-C4' energy: -79.091 flat angles P-C4'-P energy: -41.014 tors. eta vs tors. theta energy: -94.939 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: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1114.276429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.276429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.276429 (E_RNA) where: Base-Base interactions energy: -770.088 where: short stacking energy: -334.376 Base-Backbone interact. energy: -1.553 local terms energy: -342.635050 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -70.836 flat angles P-C4'-P energy: -54.996 tors. eta vs tors. theta energy: -93.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1092.103453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.103453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.103453 (E_RNA) where: Base-Base interactions energy: -744.509 where: short stacking energy: -289.300 Base-Backbone interact. energy: -1.076 local terms energy: -346.517811 where: bonds (distance) C4'-P energy: -67.908 bonds (distance) P-C4' energy: -71.761 flat angles C4'-P-C4' energy: -62.693 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: -89.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1085.601458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.601458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.601458 (E_RNA) where: Base-Base interactions energy: -739.963 where: short stacking energy: -299.666 Base-Backbone interact. energy: -2.011 local terms energy: -343.627787 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -43.879 tors. eta vs tors. theta energy: -99.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1031.268027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.268027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.268027 (E_RNA) where: Base-Base interactions energy: -702.651 where: short stacking energy: -298.113 Base-Backbone interact. energy: -0.246 local terms energy: -328.370838 where: bonds (distance) C4'-P energy: -67.613 bonds (distance) P-C4' energy: -51.108 flat angles C4'-P-C4' energy: -76.534 flat angles P-C4'-P energy: -33.799 tors. eta vs tors. theta energy: -99.317 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -889.505269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.505269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.505269 (E_RNA) where: Base-Base interactions energy: -609.883 where: short stacking energy: -243.065 Base-Backbone interact. energy: 0.892 local terms energy: -280.514175 where: bonds (distance) C4'-P energy: -56.557 bonds (distance) P-C4' energy: -60.031 flat angles C4'-P-C4' energy: -69.080 flat angles P-C4'-P energy: -29.697 tors. eta vs tors. theta energy: -65.149 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: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -753.466824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.466824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.466824 (E_RNA) where: Base-Base interactions energy: -503.927 where: short stacking energy: -216.210 Base-Backbone interact. energy: -1.337 local terms energy: -248.202304 where: bonds (distance) C4'-P energy: -59.904 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -47.918 flat angles P-C4'-P energy: -32.035 tors. eta vs tors. theta energy: -48.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -594.791436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.791436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.791436 (E_RNA) where: Base-Base interactions energy: -366.824 where: short stacking energy: -171.515 Base-Backbone interact. energy: 0.617 local terms energy: -228.584599 where: bonds (distance) C4'-P energy: -59.153 bonds (distance) P-C4' energy: -48.176 flat angles C4'-P-C4' energy: -54.184 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -19.553 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: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -433.283381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.283381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.283381 (E_RNA) where: Base-Base interactions energy: -227.908 where: short stacking energy: -129.360 Base-Backbone interact. energy: 2.086 local terms energy: -207.460990 where: bonds (distance) C4'-P energy: -57.700 bonds (distance) P-C4' energy: -58.238 flat angles C4'-P-C4' energy: -51.181 flat angles P-C4'-P energy: -31.956 tors. eta vs tors. theta energy: -8.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -413.924220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.924220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.924220 (E_RNA) where: Base-Base interactions energy: -229.984 where: short stacking energy: -125.182 Base-Backbone interact. energy: 1.193 local terms energy: -185.133034 where: bonds (distance) C4'-P energy: -43.202 bonds (distance) P-C4' energy: -40.270 flat angles C4'-P-C4' energy: -53.080 flat angles P-C4'-P energy: -36.129 tors. eta vs tors. theta energy: -12.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1198.620210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.620210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.620210 (E_RNA) where: Base-Base interactions energy: -853.043 where: short stacking energy: -328.020 Base-Backbone interact. energy: -2.678 local terms energy: -342.899423 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -66.348 flat angles C4'-P-C4' energy: -75.071 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -87.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1112.268871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.268871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.268871 (E_RNA) where: Base-Base interactions energy: -765.632 where: short stacking energy: -316.539 Base-Backbone interact. energy: -1.191 local terms energy: -345.446203 where: bonds (distance) C4'-P energy: -66.051 bonds (distance) P-C4' energy: -71.585 flat angles C4'-P-C4' energy: -68.068 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -88.442 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: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1075.745004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.745004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.745004 (E_RNA) where: Base-Base interactions energy: -773.128 where: short stacking energy: -288.687 Base-Backbone interact. energy: 1.246 local terms energy: -303.863586 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -52.090 flat angles C4'-P-C4' energy: -65.820 flat angles P-C4'-P energy: -46.457 tors. eta vs tors. theta energy: -75.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1094.274821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.274821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.274821 (E_RNA) where: Base-Base interactions energy: -756.795 where: short stacking energy: -307.185 Base-Backbone interact. energy: -0.990 local terms energy: -336.490133 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -64.364 flat angles C4'-P-C4' energy: -70.199 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -93.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1038.844952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.844952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.844952 (E_RNA) where: Base-Base interactions energy: -712.613 where: short stacking energy: -271.338 Base-Backbone interact. energy: -0.252 local terms energy: -325.979717 where: bonds (distance) C4'-P energy: -63.241 bonds (distance) P-C4' energy: -67.527 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -87.828 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: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -922.830527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.830527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.830527 (E_RNA) where: Base-Base interactions energy: -630.637 where: short stacking energy: -270.193 Base-Backbone interact. energy: -0.910 local terms energy: -291.284084 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -65.804 flat angles C4'-P-C4' energy: -58.201 flat angles P-C4'-P energy: -36.991 tors. eta vs tors. theta energy: -75.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -771.581751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.581751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.581751 (E_RNA) where: Base-Base interactions energy: -497.466 where: short stacking energy: -222.436 Base-Backbone interact. energy: 3.837 local terms energy: -277.952734 where: bonds (distance) C4'-P energy: -51.777 bonds (distance) P-C4' energy: -55.734 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -42.786 tors. eta vs tors. theta energy: -61.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -570.517323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.517323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.517323 (E_RNA) where: Base-Base interactions energy: -356.450 where: short stacking energy: -171.904 Base-Backbone interact. energy: -0.906 local terms energy: -213.160870 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -54.592 flat angles P-C4'-P energy: -21.449 tors. eta vs tors. theta energy: -19.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -407.808209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.808209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.808209 (E_RNA) where: Base-Base interactions energy: -230.470 where: short stacking energy: -127.508 Base-Backbone interact. energy: -0.001 local terms energy: -177.337471 where: bonds (distance) C4'-P energy: -46.531 bonds (distance) P-C4' energy: -63.242 flat angles C4'-P-C4' energy: -37.209 flat angles P-C4'-P energy: -26.746 tors. eta vs tors. theta energy: -3.609 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: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -385.295803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.295803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.295803 (E_RNA) where: Base-Base interactions energy: -199.457 where: short stacking energy: -114.766 Base-Backbone interact. energy: -1.559 local terms energy: -184.279153 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -48.064 flat angles C4'-P-C4' energy: -52.212 flat angles P-C4'-P energy: -32.206 tors. eta vs tors. theta energy: 0.146 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: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1213.715641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.715641 (E_RNA) where: Base-Base interactions energy: -856.745 where: short stacking energy: -323.384 Base-Backbone interact. energy: -1.201 local terms energy: -355.769470 where: bonds (distance) C4'-P energy: -68.269 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -48.346 tors. eta vs tors. theta energy: -94.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1107.963604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.963604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.963604 (E_RNA) where: Base-Base interactions energy: -759.862 where: short stacking energy: -298.798 Base-Backbone interact. energy: -1.027 local terms energy: -347.075218 where: bonds (distance) C4'-P energy: -67.312 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -75.475 flat angles P-C4'-P energy: -50.253 tors. eta vs tors. theta energy: -86.313 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: 344 Temperature: 1.000000 Total energy: -1116.978866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.978866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.978866 (E_RNA) where: Base-Base interactions energy: -758.348 where: short stacking energy: -288.106 Base-Backbone interact. energy: -0.404 local terms energy: -358.226866 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -72.517 flat angles C4'-P-C4' energy: -72.651 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -100.927 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: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1062.293483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.293483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.293483 (E_RNA) where: Base-Base interactions energy: -740.646 where: short stacking energy: -294.096 Base-Backbone interact. energy: 0.982 local terms energy: -322.629920 where: bonds (distance) C4'-P energy: -64.201 bonds (distance) P-C4' energy: -58.479 flat angles C4'-P-C4' energy: -69.563 flat angles P-C4'-P energy: -46.813 tors. eta vs tors. theta energy: -83.574 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1040.270578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.270578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.270578 (E_RNA) where: Base-Base interactions energy: -758.043 where: short stacking energy: -315.616 Base-Backbone interact. energy: -1.073 local terms energy: -281.154091 where: bonds (distance) C4'-P energy: -35.217 bonds (distance) P-C4' energy: -44.733 flat angles C4'-P-C4' energy: -70.684 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -907.328129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.328129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.328129 (E_RNA) where: Base-Base interactions energy: -623.980 where: short stacking energy: -258.627 Base-Backbone interact. energy: 0.282 local terms energy: -283.629251 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -54.405 flat angles C4'-P-C4' energy: -53.158 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -69.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -836.908554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.908554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.908554 (E_RNA) where: Base-Base interactions energy: -570.514 where: short stacking energy: -234.449 Base-Backbone interact. energy: 2.283 local terms energy: -268.677120 where: bonds (distance) C4'-P energy: -47.277 bonds (distance) P-C4' energy: -56.173 flat angles C4'-P-C4' energy: -65.587 flat angles P-C4'-P energy: -33.247 tors. eta vs tors. theta energy: -66.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -594.083549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.083549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.083549 (E_RNA) where: Base-Base interactions energy: -364.221 where: short stacking energy: -179.005 Base-Backbone interact. energy: -0.911 local terms energy: -228.951785 where: bonds (distance) C4'-P energy: -47.046 bonds (distance) P-C4' energy: -54.539 flat angles C4'-P-C4' energy: -59.315 flat angles P-C4'-P energy: -35.367 tors. eta vs tors. theta energy: -32.685 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: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -399.155207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.155207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.155207 (E_RNA) where: Base-Base interactions energy: -211.751 where: short stacking energy: -111.326 Base-Backbone interact. energy: -0.787 local terms energy: -186.616599 where: bonds (distance) C4'-P energy: -53.390 bonds (distance) P-C4' energy: -57.052 flat angles C4'-P-C4' energy: -50.035 flat angles P-C4'-P energy: -20.890 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -390.937726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.937726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.937726 (E_RNA) where: Base-Base interactions energy: -191.309 where: short stacking energy: -82.327 Base-Backbone interact. energy: -0.875 local terms energy: -198.753906 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -42.931 flat angles P-C4'-P energy: -22.325 tors. eta vs tors. theta energy: -15.685 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: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1215.688669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.688669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.688669 (E_RNA) where: Base-Base interactions energy: -878.733 where: short stacking energy: -328.462 Base-Backbone interact. energy: -1.222 local terms energy: -335.734042 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -73.648 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1118.771879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.771879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.771879 (E_RNA) where: Base-Base interactions energy: -790.207 where: short stacking energy: -291.851 Base-Backbone interact. energy: -2.019 local terms energy: -326.545331 where: bonds (distance) C4'-P energy: -63.958 bonds (distance) P-C4' energy: -57.127 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -44.455 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: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1107.990637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.990637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.990637 (E_RNA) where: Base-Base interactions energy: -774.098 where: short stacking energy: -304.650 Base-Backbone interact. energy: -2.585 local terms energy: -331.307813 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -68.029 flat angles P-C4'-P energy: -47.623 tors. eta vs tors. theta energy: -96.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1089.173774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.173774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.173774 (E_RNA) where: Base-Base interactions energy: -765.586 where: short stacking energy: -323.095 Base-Backbone interact. energy: -1.336 local terms energy: -322.251506 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -61.677 flat angles C4'-P-C4' energy: -66.523 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -97.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1041.322990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.322990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.322990 (E_RNA) where: Base-Base interactions energy: -745.547 where: short stacking energy: -287.991 Base-Backbone interact. energy: -1.322 local terms energy: -294.453801 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -57.866 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -79.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -872.525272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.525272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.525272 (E_RNA) where: Base-Base interactions energy: -562.835 where: short stacking energy: -236.676 Base-Backbone interact. energy: 1.772 local terms energy: -311.462584 where: bonds (distance) C4'-P energy: -55.910 bonds (distance) P-C4' energy: -71.501 flat angles C4'-P-C4' energy: -68.479 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -69.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -810.269347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.269347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.269347 (E_RNA) where: Base-Base interactions energy: -529.874 where: short stacking energy: -233.096 Base-Backbone interact. energy: -1.062 local terms energy: -279.333413 where: bonds (distance) C4'-P energy: -65.055 bonds (distance) P-C4' energy: -49.393 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -60.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -591.383349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.383349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.383349 (E_RNA) where: Base-Base interactions energy: -350.149 where: short stacking energy: -163.244 Base-Backbone interact. energy: -3.708 local terms energy: -237.526007 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -63.611 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -32.258 tors. eta vs tors. theta energy: -27.969 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: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -416.334701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.334701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.334701 (E_RNA) where: Base-Base interactions energy: -213.399 where: short stacking energy: -111.877 Base-Backbone interact. energy: 1.987 local terms energy: -204.923007 where: bonds (distance) C4'-P energy: -52.168 bonds (distance) P-C4' energy: -62.077 flat angles C4'-P-C4' energy: -49.244 flat angles P-C4'-P energy: -36.959 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -379.354081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.354081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.354081 (E_RNA) where: Base-Base interactions energy: -181.743 where: short stacking energy: -105.244 Base-Backbone interact. energy: 2.225 local terms energy: -199.835232 where: bonds (distance) C4'-P energy: -57.959 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -55.787 flat angles P-C4'-P energy: -33.099 tors. eta vs tors. theta energy: 8.766 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: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1224.664918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.664918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.664918 (E_RNA) where: Base-Base interactions energy: -885.212 where: short stacking energy: -351.537 Base-Backbone interact. energy: -1.578 local terms energy: -337.874967 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -67.982 flat angles C4'-P-C4' energy: -70.171 flat angles P-C4'-P energy: -49.471 tors. eta vs tors. theta energy: -95.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1107.825512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.825512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.825512 (E_RNA) where: Base-Base interactions energy: -768.491 where: short stacking energy: -285.233 Base-Backbone interact. energy: -1.380 local terms energy: -337.954069 where: bonds (distance) C4'-P energy: -61.977 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -70.436 flat angles P-C4'-P energy: -48.454 tors. eta vs tors. theta energy: -95.120 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: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1098.662823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.662823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.662823 (E_RNA) where: Base-Base interactions energy: -772.493 where: short stacking energy: -306.708 Base-Backbone interact. energy: -2.701 local terms energy: -323.468629 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -62.106 flat angles C4'-P-C4' energy: -71.855 flat angles P-C4'-P energy: -45.186 tors. eta vs tors. theta energy: -88.240 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: 5 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1076.528029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.528029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.528029 (E_RNA) where: Base-Base interactions energy: -734.579 where: short stacking energy: -311.497 Base-Backbone interact. energy: -1.039 local terms energy: -340.910101 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -40.029 tors. eta vs tors. theta energy: -98.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1050.989894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.989894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.989894 (E_RNA) where: Base-Base interactions energy: -731.136 where: short stacking energy: -274.539 Base-Backbone interact. energy: -0.634 local terms energy: -319.219843 where: bonds (distance) C4'-P energy: -66.651 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -41.596 tors. eta vs tors. theta energy: -84.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -927.883022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.883022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.883022 (E_RNA) where: Base-Base interactions energy: -636.673 where: short stacking energy: -257.356 Base-Backbone interact. energy: -1.255 local terms energy: -289.955482 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -49.216 flat angles C4'-P-C4' energy: -64.554 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -68.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -873.941730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.941730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.941730 (E_RNA) where: Base-Base interactions energy: -580.861 where: short stacking energy: -257.150 Base-Backbone interact. energy: 1.538 local terms energy: -294.618036 where: bonds (distance) C4'-P energy: -56.836 bonds (distance) P-C4' energy: -65.489 flat angles C4'-P-C4' energy: -59.212 flat angles P-C4'-P energy: -38.963 tors. eta vs tors. theta energy: -74.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -625.052950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.052950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.052950 (E_RNA) where: Base-Base interactions energy: -379.256 where: short stacking energy: -192.741 Base-Backbone interact. energy: 1.902 local terms energy: -247.699424 where: bonds (distance) C4'-P energy: -51.056 bonds (distance) P-C4' energy: -62.735 flat angles C4'-P-C4' energy: -63.845 flat angles P-C4'-P energy: -31.779 tors. eta vs tors. theta energy: -38.284 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: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -404.427428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.427428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.427428 (E_RNA) where: Base-Base interactions energy: -211.295 where: short stacking energy: -122.195 Base-Backbone interact. energy: -1.625 local terms energy: -191.506588 where: bonds (distance) C4'-P energy: -52.321 bonds (distance) P-C4' energy: -51.732 flat angles C4'-P-C4' energy: -59.380 flat angles P-C4'-P energy: -20.651 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -399.744265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.744265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.744265 (E_RNA) where: Base-Base interactions energy: -222.542 where: short stacking energy: -102.064 Base-Backbone interact. energy: 2.497 local terms energy: -179.699018 where: bonds (distance) C4'-P energy: -52.182 bonds (distance) P-C4' energy: -47.161 flat angles C4'-P-C4' energy: -47.830 flat angles P-C4'-P energy: -31.269 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1212.349593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.349593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.349593 (E_RNA) where: Base-Base interactions energy: -867.204 where: short stacking energy: -344.283 Base-Backbone interact. energy: -2.445 local terms energy: -342.700922 where: bonds (distance) C4'-P energy: -69.336 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -67.611 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -93.826 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: 347 Temperature: 0.950000 Total energy: -1111.098402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.098402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.098402 (E_RNA) where: Base-Base interactions energy: -784.373 where: short stacking energy: -306.005 Base-Backbone interact. energy: -0.376 local terms energy: -326.349376 where: bonds (distance) C4'-P energy: -55.007 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -74.474 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -93.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1099.635899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.635899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.635899 (E_RNA) where: Base-Base interactions energy: -768.540 where: short stacking energy: -307.610 Base-Backbone interact. energy: -1.712 local terms energy: -329.382979 where: bonds (distance) C4'-P energy: -63.104 bonds (distance) P-C4' energy: -56.398 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: -89.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1100.239662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.239662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.239662 (E_RNA) where: Base-Base interactions energy: -762.291 where: short stacking energy: -312.198 Base-Backbone interact. energy: -0.613 local terms energy: -337.335763 where: bonds (distance) C4'-P energy: -52.531 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -72.269 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -97.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1062.612038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.612038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.612038 (E_RNA) where: Base-Base interactions energy: -763.743 where: short stacking energy: -295.663 Base-Backbone interact. energy: -0.152 local terms energy: -298.717195 where: bonds (distance) C4'-P energy: -41.621 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -31.077 tors. eta vs tors. theta energy: -90.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -890.061927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.061927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.061927 (E_RNA) where: Base-Base interactions energy: -585.288 where: short stacking energy: -247.780 Base-Backbone interact. energy: -0.517 local terms energy: -304.256690 where: bonds (distance) C4'-P energy: -58.095 bonds (distance) P-C4' energy: -61.456 flat angles C4'-P-C4' energy: -70.902 flat angles P-C4'-P energy: -39.140 tors. eta vs tors. theta energy: -74.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -852.634629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.634629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.634629 (E_RNA) where: Base-Base interactions energy: -576.737 where: short stacking energy: -260.374 Base-Backbone interact. energy: 1.127 local terms energy: -277.025127 where: bonds (distance) C4'-P energy: -56.478 bonds (distance) P-C4' energy: -45.193 flat angles C4'-P-C4' energy: -59.730 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -77.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -622.837029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.837029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.837029 (E_RNA) where: Base-Base interactions energy: -385.337 where: short stacking energy: -164.879 Base-Backbone interact. energy: -1.088 local terms energy: -236.412588 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -54.439 flat angles C4'-P-C4' energy: -62.795 flat angles P-C4'-P energy: -31.845 tors. eta vs tors. theta energy: -31.105 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: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -413.312236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.312236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.312236 (E_RNA) where: Base-Base interactions energy: -243.883 where: short stacking energy: -130.999 Base-Backbone interact. energy: 5.731 local terms energy: -175.159687 where: bonds (distance) C4'-P energy: -40.064 bonds (distance) P-C4' energy: -49.207 flat angles C4'-P-C4' energy: -48.937 flat angles P-C4'-P energy: -28.106 tors. eta vs tors. theta energy: -8.846 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: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -382.160190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.160190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.160190 (E_RNA) where: Base-Base interactions energy: -188.566 where: short stacking energy: -103.016 Base-Backbone interact. energy: 1.322 local terms energy: -194.916399 where: bonds (distance) C4'-P energy: -63.978 bonds (distance) P-C4' energy: -50.030 flat angles C4'-P-C4' energy: -53.994 flat angles P-C4'-P energy: -33.308 tors. eta vs tors. theta energy: 6.394 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: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1215.068487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.068487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.068487 (E_RNA) where: Base-Base interactions energy: -872.065 where: short stacking energy: -329.305 Base-Backbone interact. energy: -2.186 local terms energy: -340.817603 where: bonds (distance) C4'-P energy: -65.597 bonds (distance) P-C4' energy: -62.145 flat angles C4'-P-C4' energy: -76.941 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: -93.763 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: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1134.394816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.394816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.394816 (E_RNA) where: Base-Base interactions energy: -795.402 where: short stacking energy: -313.841 Base-Backbone interact. energy: -1.496 local terms energy: -337.497050 where: bonds (distance) C4'-P energy: -58.788 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: -98.354 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: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1095.272192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.272192 (E_RNA) where: Base-Base interactions energy: -761.176 where: short stacking energy: -304.384 Base-Backbone interact. energy: 1.445 local terms energy: -335.541591 where: bonds (distance) C4'-P energy: -60.728 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -67.276 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -94.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1066.716238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.716238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.716238 (E_RNA) where: Base-Base interactions energy: -724.123 where: short stacking energy: -300.826 Base-Backbone interact. energy: -2.844 local terms energy: -339.749542 where: bonds (distance) C4'-P energy: -61.879 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -76.967 flat angles P-C4'-P energy: -46.117 tors. eta vs tors. theta energy: -95.713 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: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1054.287189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.287189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.287189 (E_RNA) where: Base-Base interactions energy: -745.567 where: short stacking energy: -292.533 Base-Backbone interact. energy: -1.844 local terms energy: -306.876013 where: bonds (distance) C4'-P energy: -52.527 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -80.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -921.041381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.041381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.041381 (E_RNA) where: Base-Base interactions energy: -618.645 where: short stacking energy: -262.792 Base-Backbone interact. energy: -1.336 local terms energy: -301.060665 where: bonds (distance) C4'-P energy: -60.474 bonds (distance) P-C4' energy: -58.398 flat angles C4'-P-C4' energy: -58.899 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: -77.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -825.436535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.436535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.436535 (E_RNA) where: Base-Base interactions energy: -526.516 where: short stacking energy: -223.689 Base-Backbone interact. energy: 1.200 local terms energy: -300.120004 where: bonds (distance) C4'-P energy: -66.374 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -64.552 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: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -614.611356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.611356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.611356 (E_RNA) where: Base-Base interactions energy: -395.347 where: short stacking energy: -157.055 Base-Backbone interact. energy: -1.373 local terms energy: -217.891313 where: bonds (distance) C4'-P energy: -57.145 bonds (distance) P-C4' energy: -53.610 flat angles C4'-P-C4' energy: -43.906 flat angles P-C4'-P energy: -28.518 tors. eta vs tors. theta energy: -34.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -410.580289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.580289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.580289 (E_RNA) where: Base-Base interactions energy: -232.584 where: short stacking energy: -126.349 Base-Backbone interact. energy: -1.279 local terms energy: -176.717533 where: bonds (distance) C4'-P energy: -45.959 bonds (distance) P-C4' energy: -55.479 flat angles C4'-P-C4' energy: -47.459 flat angles P-C4'-P energy: -25.069 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -381.304389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.304389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.304389 (E_RNA) where: Base-Base interactions energy: -181.690 where: short stacking energy: -91.142 Base-Backbone interact. energy: -0.529 local terms energy: -199.084950 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -51.449 flat angles C4'-P-C4' energy: -56.236 flat angles P-C4'-P energy: -34.358 tors. eta vs tors. theta energy: 3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1224.177911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.177911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.177911 (E_RNA) where: Base-Base interactions energy: -880.789 where: short stacking energy: -333.237 Base-Backbone interact. energy: -0.798 local terms energy: -342.590542 where: bonds (distance) C4'-P energy: -62.509 bonds (distance) P-C4' energy: -68.539 flat angles C4'-P-C4' energy: -68.160 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -93.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1124.626568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.626568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.626568 (E_RNA) where: Base-Base interactions energy: -769.487 where: short stacking energy: -313.919 Base-Backbone interact. energy: -0.913 local terms energy: -354.226678 where: bonds (distance) C4'-P energy: -67.295 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -73.972 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: -95.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1095.306347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.306347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.306347 (E_RNA) where: Base-Base interactions energy: -755.001 where: short stacking energy: -286.954 Base-Backbone interact. energy: -1.878 local terms energy: -338.427927 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -61.240 flat angles C4'-P-C4' energy: -71.458 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -92.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1095.019098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.019098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.019098 (E_RNA) where: Base-Base interactions energy: -766.543 where: short stacking energy: -289.274 Base-Backbone interact. energy: 1.234 local terms energy: -329.709839 where: bonds (distance) C4'-P energy: -64.856 bonds (distance) P-C4' energy: -68.517 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -86.395 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: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1040.953563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.953563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.953563 (E_RNA) where: Base-Base interactions energy: -712.637 where: short stacking energy: -287.690 Base-Backbone interact. energy: -1.353 local terms energy: -326.963830 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -64.073 flat angles P-C4'-P energy: -48.761 tors. eta vs tors. theta energy: -88.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -884.769134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.769134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.769134 (E_RNA) where: Base-Base interactions energy: -585.165 where: short stacking energy: -244.397 Base-Backbone interact. energy: -0.398 local terms energy: -299.206083 where: bonds (distance) C4'-P energy: -59.980 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -67.998 flat angles P-C4'-P energy: -41.986 tors. eta vs tors. theta energy: -63.623 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -843.165968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.165968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.165968 (E_RNA) where: Base-Base interactions energy: -562.408 where: short stacking energy: -229.839 Base-Backbone interact. energy: -0.449 local terms energy: -280.308628 where: bonds (distance) C4'-P energy: -49.595 bonds (distance) P-C4' energy: -63.399 flat angles C4'-P-C4' energy: -73.806 flat angles P-C4'-P energy: -33.295 tors. eta vs tors. theta energy: -60.215 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: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -621.014934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.014934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.014934 (E_RNA) where: Base-Base interactions energy: -389.555 where: short stacking energy: -179.101 Base-Backbone interact. energy: -1.076 local terms energy: -230.383750 where: bonds (distance) C4'-P energy: -51.538 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -43.548 flat angles P-C4'-P energy: -36.634 tors. eta vs tors. theta energy: -32.962 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: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -457.112324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.112324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.112324 (E_RNA) where: Base-Base interactions energy: -231.201 where: short stacking energy: -128.916 Base-Backbone interact. energy: -0.416 local terms energy: -225.494858 where: bonds (distance) C4'-P energy: -63.476 bonds (distance) P-C4' energy: -54.998 flat angles C4'-P-C4' energy: -49.227 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -23.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -381.520620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.520620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.520620 (E_RNA) where: Base-Base interactions energy: -194.334 where: short stacking energy: -108.055 Base-Backbone interact. energy: 2.268 local terms energy: -189.454252 where: bonds (distance) C4'-P energy: -49.194 bonds (distance) P-C4' energy: -56.059 flat angles C4'-P-C4' energy: -56.548 flat angles P-C4'-P energy: -30.289 tors. eta vs tors. theta energy: 2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1228.047485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.047485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.047485 (E_RNA) where: Base-Base interactions energy: -879.107 where: short stacking energy: -326.109 Base-Backbone interact. energy: -2.414 local terms energy: -346.525812 where: bonds (distance) C4'-P energy: -61.760 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -79.499 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -95.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1135.229371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.229371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.229371 (E_RNA) where: Base-Base interactions energy: -789.963 where: short stacking energy: -323.078 Base-Backbone interact. energy: -1.842 local terms energy: -343.424220 where: bonds (distance) C4'-P energy: -60.289 bonds (distance) P-C4' energy: -66.350 flat angles C4'-P-C4' energy: -75.268 flat angles P-C4'-P energy: -48.470 tors. eta vs tors. theta energy: -93.046 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: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1103.613629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.613629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.613629 (E_RNA) where: Base-Base interactions energy: -780.182 where: short stacking energy: -299.827 Base-Backbone interact. energy: -0.994 local terms energy: -322.437408 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -59.550 flat angles C4'-P-C4' energy: -70.378 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -83.069 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: 350 Temperature: 1.050000 Total energy: -1069.285197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.285197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.285197 (E_RNA) where: Base-Base interactions energy: -747.126 where: short stacking energy: -283.877 Base-Backbone interact. energy: -1.583 local terms energy: -320.576115 where: bonds (distance) C4'-P energy: -60.398 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -64.459 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: -90.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1047.173391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.173391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.173391 (E_RNA) where: Base-Base interactions energy: -716.516 where: short stacking energy: -311.866 Base-Backbone interact. energy: -0.460 local terms energy: -330.197839 where: bonds (distance) C4'-P energy: -61.196 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -92.137 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: 6, replica: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -888.445536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.445536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.445536 (E_RNA) where: Base-Base interactions energy: -588.033 where: short stacking energy: -258.085 Base-Backbone interact. energy: -0.459 local terms energy: -299.953786 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -67.596 flat angles P-C4'-P energy: -36.872 tors. eta vs tors. theta energy: -70.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -836.518357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.518357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.518357 (E_RNA) where: Base-Base interactions energy: -569.217 where: short stacking energy: -229.329 Base-Backbone interact. energy: 0.217 local terms energy: -267.518790 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -39.534 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -68.807 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: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -629.611750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.611750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.611750 (E_RNA) where: Base-Base interactions energy: -389.569 where: short stacking energy: -150.346 Base-Backbone interact. energy: -0.335 local terms energy: -239.708153 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -49.574 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -40.570 tors. eta vs tors. theta energy: -27.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -426.366448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.366448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.366448 (E_RNA) where: Base-Base interactions energy: -242.163 where: short stacking energy: -122.678 Base-Backbone interact. energy: 1.089 local terms energy: -185.292193 where: bonds (distance) C4'-P energy: -43.785 bonds (distance) P-C4' energy: -61.557 flat angles C4'-P-C4' energy: -53.310 flat angles P-C4'-P energy: -20.644 tors. eta vs tors. theta energy: -5.997 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: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -388.434958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.434958 (E_RNA) where: Base-Base interactions energy: -188.007 where: short stacking energy: -106.653 Base-Backbone interact. energy: 0.335 local terms energy: -200.762370 where: bonds (distance) C4'-P energy: -54.585 bonds (distance) P-C4' energy: -52.035 flat angles C4'-P-C4' energy: -54.119 flat angles P-C4'-P energy: -24.950 tors. eta vs tors. theta energy: -15.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1230.904187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.904187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.904187 (E_RNA) where: Base-Base interactions energy: -862.267 where: short stacking energy: -328.070 Base-Backbone interact. energy: -1.387 local terms energy: -367.250320 where: bonds (distance) C4'-P energy: -73.291 bonds (distance) P-C4' energy: -74.344 flat angles C4'-P-C4' energy: -73.556 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -94.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1147.864622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.864622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.864622 (E_RNA) where: Base-Base interactions energy: -820.872 where: short stacking energy: -310.428 Base-Backbone interact. energy: -0.801 local terms energy: -326.191430 where: bonds (distance) C4'-P energy: -57.615 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -91.615 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: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1106.569182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.569182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.569182 (E_RNA) where: Base-Base interactions energy: -774.386 where: short stacking energy: -296.214 Base-Backbone interact. energy: -1.540 local terms energy: -330.643448 where: bonds (distance) C4'-P energy: -62.667 bonds (distance) P-C4' energy: -69.966 flat angles C4'-P-C4' energy: -70.252 flat angles P-C4'-P energy: -45.776 tors. eta vs tors. theta energy: -81.983 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: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1057.716929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.716929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.716929 (E_RNA) where: Base-Base interactions energy: -710.568 where: short stacking energy: -299.899 Base-Backbone interact. energy: 3.316 local terms energy: -350.465269 where: bonds (distance) C4'-P energy: -62.092 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -100.066 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: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1055.597579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.597579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.597579 (E_RNA) where: Base-Base interactions energy: -721.677 where: short stacking energy: -306.156 Base-Backbone interact. energy: -2.221 local terms energy: -331.699884 where: bonds (distance) C4'-P energy: -64.996 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -85.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -923.809274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.809274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.809274 (E_RNA) where: Base-Base interactions energy: -626.745 where: short stacking energy: -257.094 Base-Backbone interact. energy: -2.119 local terms energy: -294.945919 where: bonds (distance) C4'-P energy: -53.444 bonds (distance) P-C4' energy: -64.255 flat angles C4'-P-C4' energy: -62.112 flat angles P-C4'-P energy: -45.617 tors. eta vs tors. theta energy: -69.520 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: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -786.699934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.699934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.699934 (E_RNA) where: Base-Base interactions energy: -526.140 where: short stacking energy: -237.004 Base-Backbone interact. energy: 1.606 local terms energy: -262.166448 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -56.336 flat angles C4'-P-C4' energy: -57.775 flat angles P-C4'-P energy: -41.272 tors. eta vs tors. theta energy: -53.575 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: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -651.258993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.258993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.258993 (E_RNA) where: Base-Base interactions energy: -414.000 where: short stacking energy: -207.821 Base-Backbone interact. energy: -0.672 local terms energy: -236.586866 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -54.032 flat angles C4'-P-C4' energy: -57.951 flat angles P-C4'-P energy: -27.773 tors. eta vs tors. theta energy: -40.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -420.516240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.516240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.516240 (E_RNA) where: Base-Base interactions energy: -209.686 where: short stacking energy: -125.409 Base-Backbone interact. energy: 0.578 local terms energy: -211.408022 where: bonds (distance) C4'-P energy: -57.837 bonds (distance) P-C4' energy: -61.026 flat angles C4'-P-C4' energy: -56.215 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -5.107 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: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -376.484644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.484644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.484644 (E_RNA) where: Base-Base interactions energy: -161.713 where: short stacking energy: -89.373 Base-Backbone interact. energy: -1.371 local terms energy: -213.400561 where: bonds (distance) C4'-P energy: -56.174 bonds (distance) P-C4' energy: -59.993 flat angles C4'-P-C4' energy: -62.801 flat angles P-C4'-P energy: -28.000 tors. eta vs tors. theta energy: -6.433 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: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1213.376190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.376190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.376190 (E_RNA) where: Base-Base interactions energy: -877.071 where: short stacking energy: -325.983 Base-Backbone interact. energy: -1.670 local terms energy: -334.635384 where: bonds (distance) C4'-P energy: -59.104 bonds (distance) P-C4' energy: -57.025 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -96.907 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: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1155.665943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.665943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.665943 (E_RNA) where: Base-Base interactions energy: -816.664 where: short stacking energy: -318.927 Base-Backbone interact. energy: -1.908 local terms energy: -337.094026 where: bonds (distance) C4'-P energy: -61.384 bonds (distance) P-C4' energy: -63.304 flat angles C4'-P-C4' energy: -74.583 flat angles P-C4'-P energy: -48.306 tors. eta vs tors. theta energy: -89.518 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: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1105.924698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.924698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.924698 (E_RNA) where: Base-Base interactions energy: -771.855 where: short stacking energy: -313.413 Base-Backbone interact. energy: -0.030 local terms energy: -334.039812 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -78.370 flat angles P-C4'-P energy: -43.195 tors. eta vs tors. theta energy: -89.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1093.574878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.574878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.574878 (E_RNA) where: Base-Base interactions energy: -741.108 where: short stacking energy: -321.228 Base-Backbone interact. energy: 0.504 local terms energy: -352.971415 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -67.347 flat angles C4'-P-C4' energy: -77.365 flat angles P-C4'-P energy: -46.044 tors. eta vs tors. theta energy: -100.762 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: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1019.889622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.889622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.889622 (E_RNA) where: Base-Base interactions energy: -694.428 where: short stacking energy: -304.177 Base-Backbone interact. energy: 1.090 local terms energy: -326.551766 where: bonds (distance) C4'-P energy: -58.170 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -68.237 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -85.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -902.588048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.588048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.588048 (E_RNA) where: Base-Base interactions energy: -612.072 where: short stacking energy: -258.168 Base-Backbone interact. energy: 2.608 local terms energy: -293.124270 where: bonds (distance) C4'-P energy: -58.152 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -60.063 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -70.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -798.857469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.857469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.857469 (E_RNA) where: Base-Base interactions energy: -513.004 where: short stacking energy: -205.255 Base-Backbone interact. energy: -2.869 local terms energy: -282.984556 where: bonds (distance) C4'-P energy: -54.635 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -69.070 flat angles P-C4'-P energy: -42.549 tors. eta vs tors. theta energy: -52.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -651.767343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.767343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.767343 (E_RNA) where: Base-Base interactions energy: -426.947 where: short stacking energy: -188.028 Base-Backbone interact. energy: -0.833 local terms energy: -223.987705 where: bonds (distance) C4'-P energy: -56.769 bonds (distance) P-C4' energy: -53.244 flat angles C4'-P-C4' energy: -43.276 flat angles P-C4'-P energy: -23.520 tors. eta vs tors. theta energy: -47.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -414.701809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.701809 (E_RNA) where: Base-Base interactions energy: -222.492 where: short stacking energy: -130.871 Base-Backbone interact. energy: -1.161 local terms energy: -191.048134 where: bonds (distance) C4'-P energy: -53.227 bonds (distance) P-C4' energy: -54.536 flat angles C4'-P-C4' energy: -43.058 flat angles P-C4'-P energy: -22.732 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -386.363380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.363380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.363380 (E_RNA) where: Base-Base interactions energy: -199.045 where: short stacking energy: -109.748 Base-Backbone interact. energy: 4.100 local terms energy: -191.417990 where: bonds (distance) C4'-P energy: -54.775 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -36.532 flat angles P-C4'-P energy: -34.003 tors. eta vs tors. theta energy: -7.341 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: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1208.364719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.364719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.364719 (E_RNA) where: Base-Base interactions energy: -858.305 where: short stacking energy: -326.840 Base-Backbone interact. energy: -3.158 local terms energy: -346.900802 where: bonds (distance) C4'-P energy: -62.263 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -76.411 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -93.956 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: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1149.570156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.570156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.570156 (E_RNA) where: Base-Base interactions energy: -815.434 where: short stacking energy: -309.047 Base-Backbone interact. energy: -3.124 local terms energy: -331.012062 where: bonds (distance) C4'-P energy: -66.090 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -90.203 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: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1106.379858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.379858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.379858 (E_RNA) where: Base-Base interactions energy: -788.878 where: short stacking energy: -302.244 Base-Backbone interact. energy: -0.754 local terms energy: -316.747969 where: bonds (distance) C4'-P energy: -52.477 bonds (distance) P-C4' energy: -65.410 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -52.340 tors. eta vs tors. theta energy: -78.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1065.994685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.994685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.994685 (E_RNA) where: Base-Base interactions energy: -745.304 where: short stacking energy: -313.313 Base-Backbone interact. energy: -1.699 local terms energy: -318.992116 where: bonds (distance) C4'-P energy: -59.025 bonds (distance) P-C4' energy: -54.329 flat angles C4'-P-C4' energy: -69.421 flat angles P-C4'-P energy: -40.777 tors. eta vs tors. theta energy: -95.440 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: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -999.165821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.165821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.165821 (E_RNA) where: Base-Base interactions energy: -667.051 where: short stacking energy: -258.370 Base-Backbone interact. energy: 2.111 local terms energy: -334.226408 where: bonds (distance) C4'-P energy: -56.109 bonds (distance) P-C4' energy: -65.773 flat angles C4'-P-C4' energy: -74.214 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -86.822 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: 353 Temperature: 1.150000 Total energy: -916.757312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.757312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.757312 (E_RNA) where: Base-Base interactions energy: -614.519 where: short stacking energy: -256.619 Base-Backbone interact. energy: -0.874 local terms energy: -301.364658 where: bonds (distance) C4'-P energy: -70.245 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: -72.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -806.855471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.855471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.855471 (E_RNA) where: Base-Base interactions energy: -532.468 where: short stacking energy: -211.322 Base-Backbone interact. energy: -1.512 local terms energy: -272.875461 where: bonds (distance) C4'-P energy: -48.268 bonds (distance) P-C4' energy: -65.753 flat angles C4'-P-C4' energy: -64.773 flat angles P-C4'-P energy: -41.858 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: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -577.542372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.542372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.542372 (E_RNA) where: Base-Base interactions energy: -351.662 where: short stacking energy: -159.336 Base-Backbone interact. energy: 0.964 local terms energy: -226.844140 where: bonds (distance) C4'-P energy: -59.108 bonds (distance) P-C4' energy: -46.854 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -33.867 tors. eta vs tors. theta energy: -26.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -408.040101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.040101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.040101 (E_RNA) where: Base-Base interactions energy: -209.821 where: short stacking energy: -99.938 Base-Backbone interact. energy: 1.355 local terms energy: -199.573610 where: bonds (distance) C4'-P energy: -48.022 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -44.311 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: -5.648 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: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -395.522707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.522707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.522707 (E_RNA) where: Base-Base interactions energy: -206.236 where: short stacking energy: -113.846 Base-Backbone interact. energy: -1.246 local terms energy: -188.041361 where: bonds (distance) C4'-P energy: -57.792 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -38.294 flat angles P-C4'-P energy: -26.799 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1204.139994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.139994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.139994 (E_RNA) where: Base-Base interactions energy: -857.282 where: short stacking energy: -324.518 Base-Backbone interact. energy: -4.949 local terms energy: -341.909379 where: bonds (distance) C4'-P energy: -63.029 bonds (distance) P-C4' energy: -67.822 flat angles C4'-P-C4' energy: -68.640 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -98.138 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: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1122.670394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.670394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.670394 (E_RNA) where: Base-Base interactions energy: -779.833 where: short stacking energy: -312.579 Base-Backbone interact. energy: -3.150 local terms energy: -339.687226 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -66.626 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -94.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1072.790111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.790111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.790111 (E_RNA) where: Base-Base interactions energy: -729.958 where: short stacking energy: -324.467 Base-Backbone interact. energy: -0.595 local terms energy: -342.236975 where: bonds (distance) C4'-P energy: -60.903 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: -100.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1064.925004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.925004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.925004 (E_RNA) where: Base-Base interactions energy: -735.095 where: short stacking energy: -286.347 Base-Backbone interact. energy: 2.198 local terms energy: -332.027811 where: bonds (distance) C4'-P energy: -69.699 bonds (distance) P-C4' energy: -56.697 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -999.533098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.533098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.533098 (E_RNA) where: Base-Base interactions energy: -685.083 where: short stacking energy: -283.221 Base-Backbone interact. energy: -1.279 local terms energy: -313.171117 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -61.901 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -32.021 tors. eta vs tors. theta energy: -84.717 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: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -899.738457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.738457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.738457 (E_RNA) where: Base-Base interactions energy: -605.997 where: short stacking energy: -253.276 Base-Backbone interact. energy: -2.083 local terms energy: -291.658245 where: bonds (distance) C4'-P energy: -46.389 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -43.991 tors. eta vs tors. theta energy: -72.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -749.951804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.951804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.951804 (E_RNA) where: Base-Base interactions energy: -512.546 where: short stacking energy: -208.471 Base-Backbone interact. energy: -1.943 local terms energy: -235.462188 where: bonds (distance) C4'-P energy: -41.832 bonds (distance) P-C4' energy: -53.543 flat angles C4'-P-C4' energy: -61.220 flat angles P-C4'-P energy: -26.911 tors. eta vs tors. theta energy: -51.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -583.585568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.585568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.585568 (E_RNA) where: Base-Base interactions energy: -338.206 where: short stacking energy: -181.461 Base-Backbone interact. energy: -2.203 local terms energy: -243.176113 where: bonds (distance) C4'-P energy: -54.862 bonds (distance) P-C4' energy: -60.418 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -27.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -411.570555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.570555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.570555 (E_RNA) where: Base-Base interactions energy: -207.569 where: short stacking energy: -122.193 Base-Backbone interact. energy: -0.373 local terms energy: -203.628107 where: bonds (distance) C4'-P energy: -49.073 bonds (distance) P-C4' energy: -60.539 flat angles C4'-P-C4' energy: -47.324 flat angles P-C4'-P energy: -26.879 tors. eta vs tors. theta energy: -19.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -410.348768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.348768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.348768 (E_RNA) where: Base-Base interactions energy: -226.676 where: short stacking energy: -113.445 Base-Backbone interact. energy: -1.198 local terms energy: -182.474834 where: bonds (distance) C4'-P energy: -50.543 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -47.155 flat angles P-C4'-P energy: -29.203 tors. eta vs tors. theta energy: 1.077 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: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1234.749761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.749761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.749761 (E_RNA) where: Base-Base interactions energy: -876.766 where: short stacking energy: -330.195 Base-Backbone interact. energy: -3.680 local terms energy: -354.304358 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -66.809 flat angles C4'-P-C4' energy: -78.219 flat angles P-C4'-P energy: -44.837 tors. eta vs tors. theta energy: -96.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1132.852651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.852651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.852651 (E_RNA) where: Base-Base interactions energy: -813.233 where: short stacking energy: -313.842 Base-Backbone interact. energy: -2.547 local terms energy: -317.072675 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -54.883 flat angles C4'-P-C4' energy: -68.345 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -89.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1107.060337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.060337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.060337 (E_RNA) where: Base-Base interactions energy: -741.760 where: short stacking energy: -318.183 Base-Backbone interact. energy: -1.804 local terms energy: -363.496242 where: bonds (distance) C4'-P energy: -73.350 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -100.214 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: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1062.109848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.109848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.109848 (E_RNA) where: Base-Base interactions energy: -739.077 where: short stacking energy: -294.038 Base-Backbone interact. energy: -0.599 local terms energy: -322.433699 where: bonds (distance) C4'-P energy: -62.920 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -73.830 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: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1005.183628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.183628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.183628 (E_RNA) where: Base-Base interactions energy: -702.153 where: short stacking energy: -298.431 Base-Backbone interact. energy: 2.885 local terms energy: -305.915378 where: bonds (distance) C4'-P energy: -62.073 bonds (distance) P-C4' energy: -48.491 flat angles C4'-P-C4' energy: -61.721 flat angles P-C4'-P energy: -46.167 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -928.168397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.168397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.168397 (E_RNA) where: Base-Base interactions energy: -619.392 where: short stacking energy: -288.407 Base-Backbone interact. energy: 0.145 local terms energy: -308.922313 where: bonds (distance) C4'-P energy: -53.814 bonds (distance) P-C4' energy: -56.556 flat angles C4'-P-C4' energy: -70.033 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -80.896 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: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -769.607090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.607090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.607090 (E_RNA) where: Base-Base interactions energy: -503.922 where: short stacking energy: -208.808 Base-Backbone interact. energy: 1.090 local terms energy: -266.774622 where: bonds (distance) C4'-P energy: -55.245 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -54.771 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: -53.808 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: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -607.044842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.044842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.044842 (E_RNA) where: Base-Base interactions energy: -350.240 where: short stacking energy: -170.563 Base-Backbone interact. energy: 0.263 local terms energy: -257.068633 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -63.911 flat angles C4'-P-C4' energy: -54.436 flat angles P-C4'-P energy: -46.431 tors. eta vs tors. theta energy: -27.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -408.597062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.597062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.597062 (E_RNA) where: Base-Base interactions energy: -203.969 where: short stacking energy: -110.088 Base-Backbone interact. energy: -0.669 local terms energy: -203.958393 where: bonds (distance) C4'-P energy: -65.325 bonds (distance) P-C4' energy: -49.531 flat angles C4'-P-C4' energy: -50.928 flat angles P-C4'-P energy: -24.558 tors. eta vs tors. theta energy: -13.615 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: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -390.275008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.275008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.275008 (E_RNA) where: Base-Base interactions energy: -215.701 where: short stacking energy: -125.399 Base-Backbone interact. energy: -1.285 local terms energy: -173.288286 where: bonds (distance) C4'-P energy: -43.490 bonds (distance) P-C4' energy: -53.484 flat angles C4'-P-C4' energy: -47.535 flat angles P-C4'-P energy: -24.807 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1160.684051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.684051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.684051 (E_RNA) where: Base-Base interactions energy: -796.968 where: short stacking energy: -328.358 Base-Backbone interact. energy: -2.456 local terms energy: -361.260330 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -70.275 flat angles C4'-P-C4' energy: -78.557 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -97.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1232.439417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.439417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.439417 (E_RNA) where: Base-Base interactions energy: -871.487 where: short stacking energy: -330.731 Base-Backbone interact. energy: -0.487 local terms energy: -360.465253 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -66.314 flat angles P-C4'-P energy: -55.921 tors. eta vs tors. theta energy: -97.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1111.649852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.649852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.649852 (E_RNA) where: Base-Base interactions energy: -751.519 where: short stacking energy: -327.043 Base-Backbone interact. energy: -1.125 local terms energy: -359.005803 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -71.476 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -107.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1087.115781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.115781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.115781 (E_RNA) where: Base-Base interactions energy: -763.584 where: short stacking energy: -288.055 Base-Backbone interact. energy: -0.806 local terms energy: -322.725300 where: bonds (distance) C4'-P energy: -61.622 bonds (distance) P-C4' energy: -66.933 flat angles C4'-P-C4' energy: -62.125 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -82.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1004.438317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.438317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.438317 (E_RNA) where: Base-Base interactions energy: -673.362 where: short stacking energy: -299.872 Base-Backbone interact. energy: -1.187 local terms energy: -329.889391 where: bonds (distance) C4'-P energy: -77.745 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -65.056 flat angles P-C4'-P energy: -43.678 tors. eta vs tors. theta energy: -81.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -977.867156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.867156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.867156 (E_RNA) where: Base-Base interactions energy: -666.200 where: short stacking energy: -257.233 Base-Backbone interact. energy: -0.709 local terms energy: -310.958552 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -57.893 flat angles P-C4'-P energy: -42.923 tors. eta vs tors. theta energy: -77.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -794.726707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.726707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.726707 (E_RNA) where: Base-Base interactions energy: -526.053 where: short stacking energy: -224.841 Base-Backbone interact. energy: 0.594 local terms energy: -269.267749 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -57.212 flat angles C4'-P-C4' energy: -55.999 flat angles P-C4'-P energy: -41.715 tors. eta vs tors. theta energy: -56.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -702.344966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.344966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.344966 (E_RNA) where: Base-Base interactions energy: -446.146 where: short stacking energy: -199.358 Base-Backbone interact. energy: -1.397 local terms energy: -254.802360 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -36.003 tors. eta vs tors. theta energy: -45.431 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: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -409.001741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.001741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.001741 (E_RNA) where: Base-Base interactions energy: -198.599 where: short stacking energy: -102.698 Base-Backbone interact. energy: -0.957 local terms energy: -209.446236 where: bonds (distance) C4'-P energy: -59.276 bonds (distance) P-C4' energy: -56.694 flat angles C4'-P-C4' energy: -48.226 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -6.394 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: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -391.002011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.002011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.002011 (E_RNA) where: Base-Base interactions energy: -205.892 where: short stacking energy: -103.543 Base-Backbone interact. energy: -1.520 local terms energy: -183.590139 where: bonds (distance) C4'-P energy: -50.469 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -44.474 flat angles P-C4'-P energy: -23.628 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1155.780733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.780733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.780733 (E_RNA) where: Base-Base interactions energy: -813.862 where: short stacking energy: -303.107 Base-Backbone interact. energy: -1.221 local terms energy: -340.697406 where: bonds (distance) C4'-P energy: -68.397 bonds (distance) P-C4' energy: -59.156 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -51.212 tors. eta vs tors. theta energy: -90.447 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: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1200.390835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.390835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.390835 (E_RNA) where: Base-Base interactions energy: -846.311 where: short stacking energy: -335.817 Base-Backbone interact. energy: 0.095 local terms energy: -354.175144 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -59.913 flat angles C4'-P-C4' energy: -73.377 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: -98.930 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: 357 Temperature: 1.000000 Total energy: -1085.890755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.890755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.890755 (E_RNA) where: Base-Base interactions energy: -725.108 where: short stacking energy: -326.466 Base-Backbone interact. energy: -0.023 local terms energy: -360.759491 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -65.020 flat angles C4'-P-C4' energy: -75.486 flat angles P-C4'-P energy: -49.538 tors. eta vs tors. theta energy: -105.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1096.006430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.006430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.006430 (E_RNA) where: Base-Base interactions energy: -758.450 where: short stacking energy: -286.865 Base-Backbone interact. energy: -0.023 local terms energy: -337.532758 where: bonds (distance) C4'-P energy: -73.523 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -45.764 tors. eta vs tors. theta energy: -87.460 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: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -961.463516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.463516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.463516 (E_RNA) where: Base-Base interactions energy: -639.589 where: short stacking energy: -288.536 Base-Backbone interact. energy: 1.138 local terms energy: -323.012468 where: bonds (distance) C4'-P energy: -50.554 bonds (distance) P-C4' energy: -71.197 flat angles C4'-P-C4' energy: -75.764 flat angles P-C4'-P energy: -39.915 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: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -967.832863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.832863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.832863 (E_RNA) where: Base-Base interactions energy: -673.193 where: short stacking energy: -269.827 Base-Backbone interact. energy: -2.591 local terms energy: -292.049194 where: bonds (distance) C4'-P energy: -50.504 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -62.234 flat angles P-C4'-P energy: -39.821 tors. eta vs tors. theta energy: -81.773 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: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -801.001242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.001242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.001242 (E_RNA) where: Base-Base interactions energy: -539.818 where: short stacking energy: -231.419 Base-Backbone interact. energy: -0.961 local terms energy: -260.222657 where: bonds (distance) C4'-P energy: -40.275 bonds (distance) P-C4' energy: -62.223 flat angles C4'-P-C4' energy: -58.236 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: -56.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -680.730246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.730246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.730246 (E_RNA) where: Base-Base interactions energy: -421.188 where: short stacking energy: -186.006 Base-Backbone interact. energy: 0.377 local terms energy: -259.919842 where: bonds (distance) C4'-P energy: -68.485 bonds (distance) P-C4' energy: -49.485 flat angles C4'-P-C4' energy: -59.571 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: -41.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -415.623768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.623768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.623768 (E_RNA) where: Base-Base interactions energy: -221.766 where: short stacking energy: -116.860 Base-Backbone interact. energy: -0.865 local terms energy: -192.992910 where: bonds (distance) C4'-P energy: -57.303 bonds (distance) P-C4' energy: -47.818 flat angles C4'-P-C4' energy: -37.037 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -365.069575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.069575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.069575 (E_RNA) where: Base-Base interactions energy: -181.980 where: short stacking energy: -99.393 Base-Backbone interact. energy: 0.114 local terms energy: -183.204122 where: bonds (distance) C4'-P energy: -57.425 bonds (distance) P-C4' energy: -58.283 flat angles C4'-P-C4' energy: -45.699 flat angles P-C4'-P energy: -21.250 tors. eta vs tors. theta energy: -0.547 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: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1228.522858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.522858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.522858 (E_RNA) where: Base-Base interactions energy: -878.954 where: short stacking energy: -331.242 Base-Backbone interact. energy: -0.073 local terms energy: -349.496500 where: bonds (distance) C4'-P energy: -71.671 bonds (distance) P-C4' energy: -59.868 flat angles C4'-P-C4' energy: -64.536 flat angles P-C4'-P energy: -55.249 tors. eta vs tors. theta energy: -98.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1149.909529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.909529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.909529 (E_RNA) where: Base-Base interactions energy: -805.079 where: short stacking energy: -331.804 Base-Backbone interact. energy: -1.761 local terms energy: -343.069261 where: bonds (distance) C4'-P energy: -68.904 bonds (distance) P-C4' energy: -58.912 flat angles C4'-P-C4' energy: -76.950 flat angles P-C4'-P energy: -37.651 tors. eta vs tors. theta energy: -100.652 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: 358 Temperature: 1.000000 Total energy: -1092.319297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.319297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.319297 (E_RNA) where: Base-Base interactions energy: -738.304 where: short stacking energy: -323.753 Base-Backbone interact. energy: -0.291 local terms energy: -353.724293 where: bonds (distance) C4'-P energy: -78.427 bonds (distance) P-C4' energy: -56.196 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -103.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1054.478571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.478571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.478571 (E_RNA) where: Base-Base interactions energy: -754.847 where: short stacking energy: -281.344 Base-Backbone interact. energy: -0.107 local terms energy: -299.524661 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -61.447 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -31.298 tors. eta vs tors. theta energy: -78.681 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: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1005.986049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.986049 (E_RNA) where: Base-Base interactions energy: -683.514 where: short stacking energy: -287.444 Base-Backbone interact. energy: -1.248 local terms energy: -321.224625 where: bonds (distance) C4'-P energy: -55.739 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -79.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -881.226745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.226745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.226745 (E_RNA) where: Base-Base interactions energy: -577.235 where: short stacking energy: -251.200 Base-Backbone interact. energy: -0.541 local terms energy: -303.450549 where: bonds (distance) C4'-P energy: -57.512 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -70.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -829.128273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.128273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.128273 (E_RNA) where: Base-Base interactions energy: -546.697 where: short stacking energy: -229.174 Base-Backbone interact. energy: 0.498 local terms energy: -282.929269 where: bonds (distance) C4'-P energy: -62.125 bonds (distance) P-C4' energy: -60.177 flat angles C4'-P-C4' energy: -54.084 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: -66.166 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: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -723.850368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.850368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.850368 (E_RNA) where: Base-Base interactions energy: -465.553 where: short stacking energy: -194.944 Base-Backbone interact. energy: 1.176 local terms energy: -259.472528 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -54.185 flat angles C4'-P-C4' energy: -59.070 flat angles P-C4'-P energy: -35.842 tors. eta vs tors. theta energy: -49.780 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: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -420.626576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.626576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.626576 (E_RNA) where: Base-Base interactions energy: -223.857 where: short stacking energy: -113.488 Base-Backbone interact. energy: 0.129 local terms energy: -196.899215 where: bonds (distance) C4'-P energy: -58.977 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -16.870 tors. eta vs tors. theta energy: 3.979 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: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -383.837941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.837941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.837941 (E_RNA) where: Base-Base interactions energy: -181.499 where: short stacking energy: -105.062 Base-Backbone interact. energy: -2.368 local terms energy: -199.970116 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -58.055 flat angles C4'-P-C4' energy: -63.309 flat angles P-C4'-P energy: -25.654 tors. eta vs tors. theta energy: 4.105 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1221.318340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.318340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.318340 (E_RNA) where: Base-Base interactions energy: -857.000 where: short stacking energy: -335.878 Base-Backbone interact. energy: -3.061 local terms energy: -361.257543 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -72.523 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -52.962 tors. eta vs tors. theta energy: -98.879 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: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1134.002235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.002235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.002235 (E_RNA) where: Base-Base interactions energy: -800.123 where: short stacking energy: -297.567 Base-Backbone interact. energy: -2.283 local terms energy: -331.596420 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -63.040 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -46.633 tors. eta vs tors. theta energy: -88.689 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: 359 Temperature: 1.000000 Total energy: -1096.084060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.084060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.084060 (E_RNA) where: Base-Base interactions energy: -750.487 where: short stacking energy: -321.213 Base-Backbone interact. energy: -2.160 local terms energy: -343.437183 where: bonds (distance) C4'-P energy: -64.272 bonds (distance) P-C4' energy: -57.164 flat angles C4'-P-C4' energy: -70.928 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: -101.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1065.060093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.060093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.060093 (E_RNA) where: Base-Base interactions energy: -750.358 where: short stacking energy: -277.160 Base-Backbone interact. energy: 0.877 local terms energy: -315.578620 where: bonds (distance) C4'-P energy: -60.345 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -75.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1000.434178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.434178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.434178 (E_RNA) where: Base-Base interactions energy: -688.096 where: short stacking energy: -287.716 Base-Backbone interact. energy: -2.020 local terms energy: -310.318220 where: bonds (distance) C4'-P energy: -57.192 bonds (distance) P-C4' energy: -59.473 flat angles C4'-P-C4' energy: -58.925 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -90.468 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: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -870.208878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.208878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.208878 (E_RNA) where: Base-Base interactions energy: -595.747 where: short stacking energy: -249.105 Base-Backbone interact. energy: -0.780 local terms energy: -273.682392 where: bonds (distance) C4'-P energy: -48.966 bonds (distance) P-C4' energy: -55.880 flat angles C4'-P-C4' energy: -62.199 flat angles P-C4'-P energy: -36.903 tors. eta vs tors. theta energy: -69.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -794.404838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.404838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.404838 (E_RNA) where: Base-Base interactions energy: -528.979 where: short stacking energy: -228.937 Base-Backbone interact. energy: 0.142 local terms energy: -265.568671 where: bonds (distance) C4'-P energy: -51.842 bonds (distance) P-C4' energy: -55.407 flat angles C4'-P-C4' energy: -59.220 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -56.631 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: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -688.173805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.173805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.173805 (E_RNA) where: Base-Base interactions energy: -423.749 where: short stacking energy: -185.816 Base-Backbone interact. energy: -0.452 local terms energy: -263.972610 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -56.635 flat angles C4'-P-C4' energy: -53.204 flat angles P-C4'-P energy: -43.920 tors. eta vs tors. theta energy: -48.964 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -394.367493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.367493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.367493 (E_RNA) where: Base-Base interactions energy: -201.545 where: short stacking energy: -102.036 Base-Backbone interact. energy: 0.452 local terms energy: -193.274894 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -67.085 flat angles C4'-P-C4' energy: -51.105 flat angles P-C4'-P energy: -25.366 tors. eta vs tors. theta energy: 1.160 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: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -391.061464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.061464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.061464 (E_RNA) where: Base-Base interactions energy: -197.035 where: short stacking energy: -119.892 Base-Backbone interact. energy: -0.941 local terms energy: -193.085599 where: bonds (distance) C4'-P energy: -48.554 bonds (distance) P-C4' energy: -55.725 flat angles C4'-P-C4' energy: -45.986 flat angles P-C4'-P energy: -22.768 tors. eta vs tors. theta energy: -20.052 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: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1211.712785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.712785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.712785 (E_RNA) where: Base-Base interactions energy: -864.105 where: short stacking energy: -346.957 Base-Backbone interact. energy: -2.326 local terms energy: -345.282107 where: bonds (distance) C4'-P energy: -64.784 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -75.997 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -94.321 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: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1134.467731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.467731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.467731 (E_RNA) where: Base-Base interactions energy: -788.014 where: short stacking energy: -332.980 Base-Backbone interact. energy: 0.564 local terms energy: -347.018199 where: bonds (distance) C4'-P energy: -58.599 bonds (distance) P-C4' energy: -68.201 flat angles C4'-P-C4' energy: -77.811 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -91.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1086.618426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.618426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.618426 (E_RNA) where: Base-Base interactions energy: -772.959 where: short stacking energy: -312.163 Base-Backbone interact. energy: -0.991 local terms energy: -312.669257 where: bonds (distance) C4'-P energy: -59.028 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -63.090 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -90.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1060.624181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.624181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.624181 (E_RNA) where: Base-Base interactions energy: -719.959 where: short stacking energy: -299.749 Base-Backbone interact. energy: -0.747 local terms energy: -339.918020 where: bonds (distance) C4'-P energy: -54.760 bonds (distance) P-C4' energy: -63.523 flat angles C4'-P-C4' energy: -74.071 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -92.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -975.825527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.825527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.825527 (E_RNA) where: Base-Base interactions energy: -637.917 where: short stacking energy: -265.183 Base-Backbone interact. energy: 0.412 local terms energy: -338.319965 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -71.664 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -46.889 tors. eta vs tors. theta energy: -87.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -889.130361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.130361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.130361 (E_RNA) where: Base-Base interactions energy: -588.024 where: short stacking energy: -256.563 Base-Backbone interact. energy: -1.056 local terms energy: -300.050713 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -66.598 flat angles P-C4'-P energy: -44.139 tors. eta vs tors. theta energy: -70.704 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: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -827.171561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.171561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.171561 (E_RNA) where: Base-Base interactions energy: -542.912 where: short stacking energy: -235.882 Base-Backbone interact. energy: -1.149 local terms energy: -283.110684 where: bonds (distance) C4'-P energy: -55.244 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -35.944 tors. eta vs tors. theta energy: -62.078 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: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -718.022354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.022354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.022354 (E_RNA) where: Base-Base interactions energy: -465.446 where: short stacking energy: -205.366 Base-Backbone interact. energy: -1.294 local terms energy: -251.282874 where: bonds (distance) C4'-P energy: -60.740 bonds (distance) P-C4' energy: -55.823 flat angles C4'-P-C4' energy: -50.534 flat angles P-C4'-P energy: -32.566 tors. eta vs tors. theta energy: -51.619 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -387.966855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.966855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.966855 (E_RNA) where: Base-Base interactions energy: -196.336 where: short stacking energy: -107.056 Base-Backbone interact. energy: -0.418 local terms energy: -191.213229 where: bonds (distance) C4'-P energy: -51.589 bonds (distance) P-C4' energy: -59.269 flat angles C4'-P-C4' energy: -47.868 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: 5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -367.533834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.533834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.533834 (E_RNA) where: Base-Base interactions energy: -187.819 where: short stacking energy: -114.633 Base-Backbone interact. energy: 1.587 local terms energy: -181.301366 where: bonds (distance) C4'-P energy: -59.022 bonds (distance) P-C4' energy: -60.151 flat angles C4'-P-C4' energy: -45.425 flat angles P-C4'-P energy: -19.109 tors. eta vs tors. theta energy: 2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1214.275043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.275043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.275043 (E_RNA) where: Base-Base interactions energy: -864.920 where: short stacking energy: -322.630 Base-Backbone interact. energy: -2.116 local terms energy: -347.238648 where: bonds (distance) C4'-P energy: -65.751 bonds (distance) P-C4' energy: -66.947 flat angles C4'-P-C4' energy: -80.120 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -91.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1130.462734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.462734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.462734 (E_RNA) where: Base-Base interactions energy: -786.825 where: short stacking energy: -333.508 Base-Backbone interact. energy: -1.401 local terms energy: -342.236403 where: bonds (distance) C4'-P energy: -75.684 bonds (distance) P-C4' energy: -68.496 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -95.041 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: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1082.739285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.739285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.739285 (E_RNA) where: Base-Base interactions energy: -761.579 where: short stacking energy: -295.856 Base-Backbone interact. energy: 0.995 local terms energy: -322.154964 where: bonds (distance) C4'-P energy: -67.648 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -63.815 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -84.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1045.479463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.479463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.479463 (E_RNA) where: Base-Base interactions energy: -709.796 where: short stacking energy: -305.243 Base-Backbone interact. energy: -1.594 local terms energy: -334.089257 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -70.948 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -98.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -964.279249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.279249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.279249 (E_RNA) where: Base-Base interactions energy: -666.262 where: short stacking energy: -274.936 Base-Backbone interact. energy: -0.520 local terms energy: -297.497507 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -55.639 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -86.228 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: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -887.152868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.152868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.152868 (E_RNA) where: Base-Base interactions energy: -582.499 where: short stacking energy: -257.220 Base-Backbone interact. energy: -0.347 local terms energy: -304.307060 where: bonds (distance) C4'-P energy: -55.393 bonds (distance) P-C4' energy: -56.303 flat angles C4'-P-C4' energy: -69.224 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -79.762 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: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -826.647034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.647034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.647034 (E_RNA) where: Base-Base interactions energy: -543.502 where: short stacking energy: -248.411 Base-Backbone interact. energy: 0.777 local terms energy: -283.922604 where: bonds (distance) C4'-P energy: -46.302 bonds (distance) P-C4' energy: -58.818 flat angles C4'-P-C4' energy: -61.905 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: -72.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -736.560268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.560268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.560268 (E_RNA) where: Base-Base interactions energy: -479.525 where: short stacking energy: -207.130 Base-Backbone interact. energy: 1.136 local terms energy: -258.171833 where: bonds (distance) C4'-P energy: -46.193 bonds (distance) P-C4' energy: -57.251 flat angles C4'-P-C4' energy: -55.143 flat angles P-C4'-P energy: -45.640 tors. eta vs tors. theta energy: -53.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -419.933047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.933047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.933047 (E_RNA) where: Base-Base interactions energy: -218.167 where: short stacking energy: -115.523 Base-Backbone interact. energy: -1.341 local terms energy: -200.425166 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -58.907 flat angles C4'-P-C4' energy: -41.606 flat angles P-C4'-P energy: -29.598 tors. eta vs tors. theta energy: -10.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -379.891167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.891167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.891167 (E_RNA) where: Base-Base interactions energy: -190.149 where: short stacking energy: -126.795 Base-Backbone interact. energy: -1.390 local terms energy: -188.351930 where: bonds (distance) C4'-P energy: -46.090 bonds (distance) P-C4' energy: -50.845 flat angles C4'-P-C4' energy: -55.662 flat angles P-C4'-P energy: -18.862 tors. eta vs tors. theta energy: -16.893 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: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1226.225350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.225350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.225350 (E_RNA) where: Base-Base interactions energy: -854.830 where: short stacking energy: -322.408 Base-Backbone interact. energy: -2.796 local terms energy: -368.598932 where: bonds (distance) C4'-P energy: -67.749 bonds (distance) P-C4' energy: -73.543 flat angles C4'-P-C4' energy: -76.037 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -105.573 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: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1122.535177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.535177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.535177 (E_RNA) where: Base-Base interactions energy: -788.606 where: short stacking energy: -321.139 Base-Backbone interact. energy: -1.497 local terms energy: -332.431489 where: bonds (distance) C4'-P energy: -49.166 bonds (distance) P-C4' energy: -63.783 flat angles C4'-P-C4' energy: -70.092 flat angles P-C4'-P energy: -51.145 tors. eta vs tors. theta energy: -98.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1103.056982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.056982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.056982 (E_RNA) where: Base-Base interactions energy: -772.621 where: short stacking energy: -303.539 Base-Backbone interact. energy: -1.487 local terms energy: -328.948622 where: bonds (distance) C4'-P energy: -55.082 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -44.015 tors. eta vs tors. theta energy: -93.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1040.034427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.034427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.034427 (E_RNA) where: Base-Base interactions energy: -710.867 where: short stacking energy: -299.650 Base-Backbone interact. energy: -1.766 local terms energy: -327.401408 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -61.313 flat angles C4'-P-C4' energy: -69.924 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -93.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1031.883786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.883786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.883786 (E_RNA) where: Base-Base interactions energy: -714.124 where: short stacking energy: -285.580 Base-Backbone interact. energy: -0.850 local terms energy: -316.909619 where: bonds (distance) C4'-P energy: -54.860 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -67.847 flat angles P-C4'-P energy: -49.893 tors. eta vs tors. theta energy: -89.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -931.980296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.980296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.980296 (E_RNA) where: Base-Base interactions energy: -662.458 where: short stacking energy: -287.286 Base-Backbone interact. energy: 0.149 local terms energy: -269.670965 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -50.268 flat angles C4'-P-C4' energy: -57.454 flat angles P-C4'-P energy: -18.604 tors. eta vs tors. theta energy: -83.491 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: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -786.988850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.988850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.988850 (E_RNA) where: Base-Base interactions energy: -501.588 where: short stacking energy: -225.425 Base-Backbone interact. energy: -1.177 local terms energy: -284.224456 where: bonds (distance) C4'-P energy: -61.003 bonds (distance) P-C4' energy: -45.932 flat angles C4'-P-C4' energy: -62.304 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: -64.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -746.004328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.004328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.004328 (E_RNA) where: Base-Base interactions energy: -490.161 where: short stacking energy: -207.327 Base-Backbone interact. energy: 0.463 local terms energy: -256.306693 where: bonds (distance) C4'-P energy: -64.230 bonds (distance) P-C4' energy: -59.068 flat angles C4'-P-C4' energy: -52.619 flat angles P-C4'-P energy: -32.786 tors. eta vs tors. theta energy: -47.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -425.908556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.908556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.908556 (E_RNA) where: Base-Base interactions energy: -208.887 where: short stacking energy: -111.549 Base-Backbone interact. energy: 0.225 local terms energy: -217.245625 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -58.398 flat angles P-C4'-P energy: -32.164 tors. eta vs tors. theta energy: -3.419 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: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -370.924738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.924738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.924738 (E_RNA) where: Base-Base interactions energy: -178.517 where: short stacking energy: -93.519 Base-Backbone interact. energy: -1.304 local terms energy: -191.104065 where: bonds (distance) C4'-P energy: -46.511 bonds (distance) P-C4' energy: -55.713 flat angles C4'-P-C4' energy: -49.913 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: 2.338 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: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1231.851835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.851835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.851835 (E_RNA) where: Base-Base interactions energy: -866.032 where: short stacking energy: -336.365 Base-Backbone interact. energy: -3.687 local terms energy: -362.132591 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -73.297 flat angles C4'-P-C4' energy: -76.852 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -102.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1132.486730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.486730 (E_RNA) where: Base-Base interactions energy: -784.042 where: short stacking energy: -317.822 Base-Backbone interact. energy: -1.608 local terms energy: -346.837122 where: bonds (distance) C4'-P energy: -61.718 bonds (distance) P-C4' energy: -65.412 flat angles C4'-P-C4' energy: -74.133 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: -102.121 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: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1104.453777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.453777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.453777 (E_RNA) where: Base-Base interactions energy: -765.282 where: short stacking energy: -302.362 Base-Backbone interact. energy: -1.058 local terms energy: -338.113843 where: bonds (distance) C4'-P energy: -66.093 bonds (distance) P-C4' energy: -68.368 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -85.069 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: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1040.887797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.887797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.887797 (E_RNA) where: Base-Base interactions energy: -717.231 where: short stacking energy: -308.625 Base-Backbone interact. energy: -1.208 local terms energy: -322.448983 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -47.932 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: -95.404 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: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1005.430448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.430448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.430448 (E_RNA) where: Base-Base interactions energy: -695.800 where: short stacking energy: -294.181 Base-Backbone interact. energy: -2.338 local terms energy: -307.291969 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -49.234 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: -87.909 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: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -927.072032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.072032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.072032 (E_RNA) where: Base-Base interactions energy: -611.760 where: short stacking energy: -264.815 Base-Backbone interact. energy: -1.426 local terms energy: -313.886508 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -59.425 flat angles P-C4'-P energy: -48.523 tors. eta vs tors. theta energy: -84.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -787.948090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.948090 (E_RNA) where: Base-Base interactions energy: -522.075 where: short stacking energy: -251.090 Base-Backbone interact. energy: 0.562 local terms energy: -266.434885 where: bonds (distance) C4'-P energy: -38.853 bonds (distance) P-C4' energy: -58.661 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -37.378 tors. eta vs tors. theta energy: -64.486 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: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -770.012743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.012743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.012743 (E_RNA) where: Base-Base interactions energy: -497.893 where: short stacking energy: -213.736 Base-Backbone interact. energy: 1.070 local terms energy: -273.190247 where: bonds (distance) C4'-P energy: -57.505 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -63.264 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: -55.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -385.987683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.987683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.987683 (E_RNA) where: Base-Base interactions energy: -197.377 where: short stacking energy: -107.985 Base-Backbone interact. energy: -1.211 local terms energy: -187.399806 where: bonds (distance) C4'-P energy: -49.206 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -39.672 flat angles P-C4'-P energy: -35.058 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -385.140115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.140115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.140115 (E_RNA) where: Base-Base interactions energy: -220.575 where: short stacking energy: -115.699 Base-Backbone interact. energy: -1.564 local terms energy: -163.001127 where: bonds (distance) C4'-P energy: -47.286 bonds (distance) P-C4' energy: -47.090 flat angles C4'-P-C4' energy: -43.187 flat angles P-C4'-P energy: -21.876 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1240.739619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.739619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.739619 (E_RNA) where: Base-Base interactions energy: -884.986 where: short stacking energy: -337.748 Base-Backbone interact. energy: -3.142 local terms energy: -352.611439 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -75.205 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -103.714 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: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1127.355400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.355400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.355400 (E_RNA) where: Base-Base interactions energy: -778.296 where: short stacking energy: -314.600 Base-Backbone interact. energy: -0.370 local terms energy: -348.689093 where: bonds (distance) C4'-P energy: -65.964 bonds (distance) P-C4' energy: -69.214 flat angles C4'-P-C4' energy: -65.739 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -97.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1112.837263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.837263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.837263 (E_RNA) where: Base-Base interactions energy: -770.013 where: short stacking energy: -309.760 Base-Backbone interact. energy: -1.904 local terms energy: -340.921033 where: bonds (distance) C4'-P energy: -62.419 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -76.387 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: -97.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1032.682067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.682067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.682067 (E_RNA) where: Base-Base interactions energy: -689.000 where: short stacking energy: -292.624 Base-Backbone interact. energy: 0.790 local terms energy: -344.471620 where: bonds (distance) C4'-P energy: -56.455 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -71.014 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1002.606221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.606221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.606221 (E_RNA) where: Base-Base interactions energy: -684.136 where: short stacking energy: -283.479 Base-Backbone interact. energy: 1.100 local terms energy: -319.569604 where: bonds (distance) C4'-P energy: -47.808 bonds (distance) P-C4' energy: -63.641 flat angles C4'-P-C4' energy: -74.634 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -89.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -928.963853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.963853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.963853 (E_RNA) where: Base-Base interactions energy: -618.847 where: short stacking energy: -271.210 Base-Backbone interact. energy: -2.701 local terms energy: -307.416065 where: bonds (distance) C4'-P energy: -50.377 bonds (distance) P-C4' energy: -70.451 flat angles C4'-P-C4' energy: -54.020 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -79.198 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: 364 Temperature: 1.200000 Total energy: -794.485286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.485286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.485286 (E_RNA) where: Base-Base interactions energy: -516.437 where: short stacking energy: -214.802 Base-Backbone interact. energy: 1.555 local terms energy: -279.603227 where: bonds (distance) C4'-P energy: -58.163 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -64.887 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: -57.146 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: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -756.966731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.966731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.966731 (E_RNA) where: Base-Base interactions energy: -484.367 where: short stacking energy: -222.826 Base-Backbone interact. energy: 3.810 local terms energy: -276.409593 where: bonds (distance) C4'-P energy: -49.099 bonds (distance) P-C4' energy: -51.872 flat angles C4'-P-C4' energy: -66.410 flat angles P-C4'-P energy: -41.803 tors. eta vs tors. theta energy: -67.226 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: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -394.464130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.464130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.464130 (E_RNA) where: Base-Base interactions energy: -211.978 where: short stacking energy: -121.777 Base-Backbone interact. energy: 0.917 local terms energy: -183.403123 where: bonds (distance) C4'-P energy: -44.797 bonds (distance) P-C4' energy: -58.591 flat angles C4'-P-C4' energy: -54.398 flat angles P-C4'-P energy: -24.683 tors. eta vs tors. theta energy: -0.935 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: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -409.286134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.286134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.286134 (E_RNA) where: Base-Base interactions energy: -184.382 where: short stacking energy: -109.017 Base-Backbone interact. energy: -0.895 local terms energy: -224.008622 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -60.537 flat angles C4'-P-C4' energy: -53.446 flat angles P-C4'-P energy: -33.821 tors. eta vs tors. theta energy: -16.309 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: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1232.031209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.031209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.031209 (E_RNA) where: Base-Base interactions energy: -863.047 where: short stacking energy: -330.693 Base-Backbone interact. energy: -2.597 local terms energy: -366.386679 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -69.412 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: -97.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1130.268367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.268367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.268367 (E_RNA) where: Base-Base interactions energy: -789.879 where: short stacking energy: -313.667 Base-Backbone interact. energy: -4.139 local terms energy: -336.250786 where: bonds (distance) C4'-P energy: -59.712 bonds (distance) P-C4' energy: -71.289 flat angles C4'-P-C4' energy: -73.644 flat angles P-C4'-P energy: -47.631 tors. eta vs tors. theta energy: -83.974 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: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1074.660022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.660022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.660022 (E_RNA) where: Base-Base interactions energy: -743.635 where: short stacking energy: -302.477 Base-Backbone interact. energy: -3.123 local terms energy: -327.902007 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -55.752 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -92.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1034.178400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.178400 (E_RNA) where: Base-Base interactions energy: -697.785 where: short stacking energy: -293.223 Base-Backbone interact. energy: -0.308 local terms energy: -336.086073 where: bonds (distance) C4'-P energy: -66.573 bonds (distance) P-C4' energy: -59.117 flat angles C4'-P-C4' energy: -62.910 flat angles P-C4'-P energy: -53.712 tors. eta vs tors. theta energy: -93.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1020.563033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.563033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.563033 (E_RNA) where: Base-Base interactions energy: -718.587 where: short stacking energy: -285.221 Base-Backbone interact. energy: -1.454 local terms energy: -300.521289 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -54.461 flat angles C4'-P-C4' energy: -65.980 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: -79.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -933.514798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.514798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.514798 (E_RNA) where: Base-Base interactions energy: -626.814 where: short stacking energy: -254.225 Base-Backbone interact. energy: -0.074 local terms energy: -306.627429 where: bonds (distance) C4'-P energy: -66.340 bonds (distance) P-C4' energy: -49.069 flat angles C4'-P-C4' energy: -63.722 flat angles P-C4'-P energy: -46.785 tors. eta vs tors. theta energy: -80.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -824.500135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.500135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.500135 (E_RNA) where: Base-Base interactions energy: -549.363 where: short stacking energy: -249.622 Base-Backbone interact. energy: 3.050 local terms energy: -278.186977 where: bonds (distance) C4'-P energy: -56.465 bonds (distance) P-C4' energy: -53.156 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -39.089 tors. eta vs tors. theta energy: -63.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -790.605027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.605027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.605027 (E_RNA) where: Base-Base interactions energy: -501.883 where: short stacking energy: -212.346 Base-Backbone interact. energy: -0.382 local terms energy: -288.339432 where: bonds (distance) C4'-P energy: -58.247 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -69.232 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -63.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -423.709980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.709980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.709980 (E_RNA) where: Base-Base interactions energy: -201.931 where: short stacking energy: -107.971 Base-Backbone interact. energy: 1.365 local terms energy: -223.143897 where: bonds (distance) C4'-P energy: -52.511 bonds (distance) P-C4' energy: -64.906 flat angles C4'-P-C4' energy: -47.786 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -414.645483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.645483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.645483 (E_RNA) where: Base-Base interactions energy: -210.188 where: short stacking energy: -129.696 Base-Backbone interact. energy: -1.683 local terms energy: -202.774775 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -54.076 flat angles P-C4'-P energy: -22.616 tors. eta vs tors. theta energy: -9.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1222.373457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.373457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.373457 (E_RNA) where: Base-Base interactions energy: -864.921 where: short stacking energy: -340.634 Base-Backbone interact. energy: -4.133 local terms energy: -353.318656 where: bonds (distance) C4'-P energy: -73.552 bonds (distance) P-C4' energy: -62.123 flat angles C4'-P-C4' energy: -70.822 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: -104.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1142.904186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.904186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.904186 (E_RNA) where: Base-Base interactions energy: -792.266 where: short stacking energy: -315.772 Base-Backbone interact. energy: -1.713 local terms energy: -348.925174 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -92.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1058.286578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.286578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.286578 (E_RNA) where: Base-Base interactions energy: -733.675 where: short stacking energy: -326.892 Base-Backbone interact. energy: -0.480 local terms energy: -324.131603 where: bonds (distance) C4'-P energy: -51.645 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -72.127 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -102.961 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1044.999734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.999734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.999734 (E_RNA) where: Base-Base interactions energy: -733.696 where: short stacking energy: -298.725 Base-Backbone interact. energy: 4.548 local terms energy: -315.852304 where: bonds (distance) C4'-P energy: -56.354 bonds (distance) P-C4' energy: -59.897 flat angles C4'-P-C4' energy: -65.620 flat angles P-C4'-P energy: -47.755 tors. eta vs tors. theta energy: -86.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -996.289829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.289829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.289829 (E_RNA) where: Base-Base interactions energy: -695.929 where: short stacking energy: -261.555 Base-Backbone interact. energy: -1.920 local terms energy: -298.441294 where: bonds (distance) C4'-P energy: -59.899 bonds (distance) P-C4' energy: -55.585 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -37.105 tors. eta vs tors. theta energy: -74.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -939.657908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.657908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.657908 (E_RNA) where: Base-Base interactions energy: -642.600 where: short stacking energy: -275.105 Base-Backbone interact. energy: -1.006 local terms energy: -296.051371 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -54.118 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -37.870 tors. eta vs tors. theta energy: -76.556 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: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -764.382799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.382799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.382799 (E_RNA) where: Base-Base interactions energy: -511.867 where: short stacking energy: -210.029 Base-Backbone interact. energy: -0.495 local terms energy: -252.020615 where: bonds (distance) C4'-P energy: -45.323 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: -48.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -810.161821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.161821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.161821 (E_RNA) where: Base-Base interactions energy: -528.722 where: short stacking energy: -239.525 Base-Backbone interact. energy: 2.638 local terms energy: -284.077247 where: bonds (distance) C4'-P energy: -51.738 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -64.579 flat angles P-C4'-P energy: -36.851 tors. eta vs tors. theta energy: -70.650 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: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -435.471499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.471499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.471499 (E_RNA) where: Base-Base interactions energy: -236.451 where: short stacking energy: -106.357 Base-Backbone interact. energy: -0.182 local terms energy: -198.838747 where: bonds (distance) C4'-P energy: -54.743 bonds (distance) P-C4' energy: -60.831 flat angles C4'-P-C4' energy: -50.389 flat angles P-C4'-P energy: -32.567 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -411.610071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.610071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.610071 (E_RNA) where: Base-Base interactions energy: -216.153 where: short stacking energy: -103.183 Base-Backbone interact. energy: -1.867 local terms energy: -193.590300 where: bonds (distance) C4'-P energy: -50.061 bonds (distance) P-C4' energy: -61.884 flat angles C4'-P-C4' energy: -48.784 flat angles P-C4'-P energy: -32.795 tors. eta vs tors. theta energy: -0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1228.427742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.427742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.427742 (E_RNA) where: Base-Base interactions energy: -867.791 where: short stacking energy: -337.328 Base-Backbone interact. energy: -4.303 local terms energy: -356.333294 where: bonds (distance) C4'-P energy: -70.816 bonds (distance) P-C4' energy: -71.384 flat angles C4'-P-C4' energy: -74.713 flat angles P-C4'-P energy: -39.744 tors. eta vs tors. theta energy: -99.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1139.233750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.233750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.233750 (E_RNA) where: Base-Base interactions energy: -795.886 where: short stacking energy: -319.344 Base-Backbone interact. energy: -2.671 local terms energy: -340.677178 where: bonds (distance) C4'-P energy: -64.137 bonds (distance) P-C4' energy: -63.900 flat angles C4'-P-C4' energy: -72.624 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -92.583 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: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1069.042087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.042087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.042087 (E_RNA) where: Base-Base interactions energy: -713.867 where: short stacking energy: -322.280 Base-Backbone interact. energy: -1.992 local terms energy: -353.183149 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -62.556 flat angles C4'-P-C4' energy: -70.066 flat angles P-C4'-P energy: -47.719 tors. eta vs tors. theta energy: -100.795 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: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1022.468808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.468808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.468808 (E_RNA) where: Base-Base interactions energy: -710.284 where: short stacking energy: -281.316 Base-Backbone interact. energy: -0.132 local terms energy: -312.052746 where: bonds (distance) C4'-P energy: -49.858 bonds (distance) P-C4' energy: -58.512 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -91.482 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: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -991.149954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.149954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.149954 (E_RNA) where: Base-Base interactions energy: -682.964 where: short stacking energy: -272.118 Base-Backbone interact. energy: -3.312 local terms energy: -304.873954 where: bonds (distance) C4'-P energy: -57.935 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -69.705 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: -76.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -928.177760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.177760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.177760 (E_RNA) where: Base-Base interactions energy: -631.082 where: short stacking energy: -258.491 Base-Backbone interact. energy: -0.435 local terms energy: -296.660703 where: bonds (distance) C4'-P energy: -63.839 bonds (distance) P-C4' energy: -52.999 flat angles C4'-P-C4' energy: -69.969 flat angles P-C4'-P energy: -35.583 tors. eta vs tors. theta energy: -74.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -792.594741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.594741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.594741 (E_RNA) where: Base-Base interactions energy: -517.148 where: short stacking energy: -225.232 Base-Backbone interact. energy: -2.273 local terms energy: -273.173993 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -58.224 flat angles C4'-P-C4' energy: -55.727 flat angles P-C4'-P energy: -42.172 tors. eta vs tors. theta energy: -61.815 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: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -805.986254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.986254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.986254 (E_RNA) where: Base-Base interactions energy: -534.421 where: short stacking energy: -244.316 Base-Backbone interact. energy: -0.571 local terms energy: -270.994537 where: bonds (distance) C4'-P energy: -41.919 bonds (distance) P-C4' energy: -48.805 flat angles C4'-P-C4' energy: -54.931 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -79.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -414.766312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.766312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.766312 (E_RNA) where: Base-Base interactions energy: -229.613 where: short stacking energy: -94.350 Base-Backbone interact. energy: 1.483 local terms energy: -186.636253 where: bonds (distance) C4'-P energy: -47.779 bonds (distance) P-C4' energy: -48.097 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -36.207 tors. eta vs tors. theta energy: 7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -370.182257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.182257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.182257 (E_RNA) where: Base-Base interactions energy: -202.575 where: short stacking energy: -88.870 Base-Backbone interact. energy: 1.651 local terms energy: -169.257366 where: bonds (distance) C4'-P energy: -56.341 bonds (distance) P-C4' energy: -41.254 flat angles C4'-P-C4' energy: -51.318 flat angles P-C4'-P energy: -25.111 tors. eta vs tors. theta energy: 4.766 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1236.004245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.004245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.004245 (E_RNA) where: Base-Base interactions energy: -873.620 where: short stacking energy: -343.952 Base-Backbone interact. energy: -3.670 local terms energy: -358.714318 where: bonds (distance) C4'-P energy: -66.379 bonds (distance) P-C4' energy: -64.440 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -102.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1142.312407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.312407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.312407 (E_RNA) where: Base-Base interactions energy: -804.321 where: short stacking energy: -309.437 Base-Backbone interact. energy: -0.790 local terms energy: -337.201792 where: bonds (distance) C4'-P energy: -67.500 bonds (distance) P-C4' energy: -56.704 flat angles C4'-P-C4' energy: -68.973 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -97.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1057.379216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.379216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.379216 (E_RNA) where: Base-Base interactions energy: -712.661 where: short stacking energy: -303.570 Base-Backbone interact. energy: -0.322 local terms energy: -344.396300 where: bonds (distance) C4'-P energy: -64.413 bonds (distance) P-C4' energy: -65.775 flat angles C4'-P-C4' energy: -71.530 flat angles P-C4'-P energy: -49.774 tors. eta vs tors. theta energy: -92.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1038.611653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.611653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.611653 (E_RNA) where: Base-Base interactions energy: -708.901 where: short stacking energy: -279.181 Base-Backbone interact. energy: -2.441 local terms energy: -327.269955 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -63.071 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -41.043 tors. eta vs tors. theta energy: -92.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -964.617451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.617451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.617451 (E_RNA) where: Base-Base interactions energy: -674.233 where: short stacking energy: -255.701 Base-Backbone interact. energy: -1.429 local terms energy: -288.955457 where: bonds (distance) C4'-P energy: -45.783 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -59.804 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -73.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -908.428678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.428678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.428678 (E_RNA) where: Base-Base interactions energy: -608.686 where: short stacking energy: -236.075 Base-Backbone interact. energy: 0.820 local terms energy: -300.563472 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -59.932 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -38.702 tors. eta vs tors. theta energy: -71.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -843.198028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.198028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.198028 (E_RNA) where: Base-Base interactions energy: -550.533 where: short stacking energy: -235.696 Base-Backbone interact. energy: -1.759 local terms energy: -290.906244 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -36.949 tors. eta vs tors. theta energy: -75.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -806.022931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.022931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.022931 (E_RNA) where: Base-Base interactions energy: -529.469 where: short stacking energy: -223.851 Base-Backbone interact. energy: -1.148 local terms energy: -275.405988 where: bonds (distance) C4'-P energy: -52.287 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -60.989 flat angles P-C4'-P energy: -40.022 tors. eta vs tors. theta energy: -56.957 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: 368 Temperature: 1.300000 Total energy: -478.661755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.661755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.661755 (E_RNA) where: Base-Base interactions energy: -268.320 where: short stacking energy: -131.306 Base-Backbone interact. energy: 1.476 local terms energy: -211.817993 where: bonds (distance) C4'-P energy: -59.374 bonds (distance) P-C4' energy: -53.374 flat angles C4'-P-C4' energy: -49.823 flat angles P-C4'-P energy: -34.640 tors. eta vs tors. theta energy: -14.606 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: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -403.515890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.515890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.515890 (E_RNA) where: Base-Base interactions energy: -222.161 where: short stacking energy: -106.469 Base-Backbone interact. energy: 0.959 local terms energy: -182.313821 where: bonds (distance) C4'-P energy: -55.190 bonds (distance) P-C4' energy: -53.741 flat angles C4'-P-C4' energy: -48.410 flat angles P-C4'-P energy: -28.900 tors. eta vs tors. theta energy: 3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1217.512433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.512433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.512433 (E_RNA) where: Base-Base interactions energy: -856.160 where: short stacking energy: -331.301 Base-Backbone interact. energy: -0.895 local terms energy: -360.457552 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -98.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1133.621069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.621069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.621069 (E_RNA) where: Base-Base interactions energy: -797.187 where: short stacking energy: -320.029 Base-Backbone interact. energy: -3.638 local terms energy: -332.795752 where: bonds (distance) C4'-P energy: -63.411 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -72.458 flat angles P-C4'-P energy: -46.154 tors. eta vs tors. theta energy: -85.259 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: 369 Temperature: 1.000000 Total energy: -1055.989073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.989073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.989073 (E_RNA) where: Base-Base interactions energy: -731.234 where: short stacking energy: -317.708 Base-Backbone interact. energy: -0.598 local terms energy: -324.157067 where: bonds (distance) C4'-P energy: -54.148 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -61.730 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -94.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1066.961326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.961326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.961326 (E_RNA) where: Base-Base interactions energy: -742.606 where: short stacking energy: -285.217 Base-Backbone interact. energy: -0.615 local terms energy: -323.740627 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -70.011 flat angles C4'-P-C4' energy: -68.258 flat angles P-C4'-P energy: -41.556 tors. eta vs tors. theta energy: -85.013 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: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -981.777377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.777377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.777377 (E_RNA) where: Base-Base interactions energy: -661.407 where: short stacking energy: -258.905 Base-Backbone interact. energy: -1.656 local terms energy: -318.714443 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -62.053 flat angles C4'-P-C4' energy: -77.399 flat angles P-C4'-P energy: -40.063 tors. eta vs tors. theta energy: -74.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -861.962662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.962662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.962662 (E_RNA) where: Base-Base interactions energy: -560.679 where: short stacking energy: -248.078 Base-Backbone interact. energy: -0.347 local terms energy: -300.935949 where: bonds (distance) C4'-P energy: -64.870 bonds (distance) P-C4' energy: -52.497 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -73.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -821.030104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.030104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.030104 (E_RNA) where: Base-Base interactions energy: -559.727 where: short stacking energy: -237.491 Base-Backbone interact. energy: -1.955 local terms energy: -259.348424 where: bonds (distance) C4'-P energy: -47.943 bonds (distance) P-C4' energy: -58.894 flat angles C4'-P-C4' energy: -52.692 flat angles P-C4'-P energy: -38.524 tors. eta vs tors. theta energy: -61.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -827.434935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.434935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.434935 (E_RNA) where: Base-Base interactions energy: -577.428 where: short stacking energy: -244.226 Base-Backbone interact. energy: -0.713 local terms energy: -249.293946 where: bonds (distance) C4'-P energy: -54.305 bonds (distance) P-C4' energy: -34.578 flat angles C4'-P-C4' energy: -52.219 flat angles P-C4'-P energy: -38.674 tors. eta vs tors. theta energy: -69.518 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: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -472.522439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.522439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.522439 (E_RNA) where: Base-Base interactions energy: -240.457 where: short stacking energy: -115.120 Base-Backbone interact. energy: -0.620 local terms energy: -231.445602 where: bonds (distance) C4'-P energy: -59.831 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -62.427 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: -8.856 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: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -357.476369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.476369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.476369 (E_RNA) where: Base-Base interactions energy: -168.973 where: short stacking energy: -79.979 Base-Backbone interact. energy: -2.180 local terms energy: -186.323240 where: bonds (distance) C4'-P energy: -40.450 bonds (distance) P-C4' energy: -62.124 flat angles C4'-P-C4' energy: -50.070 flat angles P-C4'-P energy: -37.486 tors. eta vs tors. theta energy: 3.807 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: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1226.877612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.877612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.877612 (E_RNA) where: Base-Base interactions energy: -871.556 where: short stacking energy: -333.460 Base-Backbone interact. energy: 0.225 local terms energy: -355.546269 where: bonds (distance) C4'-P energy: -63.831 bonds (distance) P-C4' energy: -60.666 flat angles C4'-P-C4' energy: -77.938 flat angles P-C4'-P energy: -47.561 tors. eta vs tors. theta energy: -105.549 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: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1129.821925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.821925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.821925 (E_RNA) where: Base-Base interactions energy: -794.066 where: short stacking energy: -315.434 Base-Backbone interact. energy: -0.798 local terms energy: -334.957934 where: bonds (distance) C4'-P energy: -64.129 bonds (distance) P-C4' energy: -69.587 flat angles C4'-P-C4' energy: -74.608 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: -83.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1100.043001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.043001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.043001 (E_RNA) where: Base-Base interactions energy: -778.163 where: short stacking energy: -303.814 Base-Backbone interact. energy: -0.893 local terms energy: -320.987216 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -59.585 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -95.267 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: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1071.921024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.921024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.921024 (E_RNA) where: Base-Base interactions energy: -746.063 where: short stacking energy: -321.106 Base-Backbone interact. energy: -1.640 local terms energy: -324.217623 where: bonds (distance) C4'-P energy: -51.464 bonds (distance) P-C4' energy: -66.394 flat angles C4'-P-C4' energy: -67.112 flat angles P-C4'-P energy: -44.279 tors. eta vs tors. theta energy: -94.968 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: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -982.827624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.827624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.827624 (E_RNA) where: Base-Base interactions energy: -683.291 where: short stacking energy: -262.199 Base-Backbone interact. energy: 2.244 local terms energy: -301.781437 where: bonds (distance) C4'-P energy: -60.100 bonds (distance) P-C4' energy: -54.797 flat angles C4'-P-C4' energy: -64.593 flat angles P-C4'-P energy: -48.007 tors. eta vs tors. theta energy: -74.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -873.604703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.604703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.604703 (E_RNA) where: Base-Base interactions energy: -590.713 where: short stacking energy: -258.960 Base-Backbone interact. energy: 1.222 local terms energy: -284.112928 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -60.962 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -70.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -807.541799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.541799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.541799 (E_RNA) where: Base-Base interactions energy: -538.354 where: short stacking energy: -248.104 Base-Backbone interact. energy: -1.290 local terms energy: -267.897783 where: bonds (distance) C4'-P energy: -54.667 bonds (distance) P-C4' energy: -53.229 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -26.438 tors. eta vs tors. theta energy: -72.586 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: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -808.053105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.053105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.053105 (E_RNA) where: Base-Base interactions energy: -520.277 where: short stacking energy: -219.695 Base-Backbone interact. energy: -1.792 local terms energy: -285.983982 where: bonds (distance) C4'-P energy: -51.020 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -66.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -450.931891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.931891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.931891 (E_RNA) where: Base-Base interactions energy: -256.651 where: short stacking energy: -129.167 Base-Backbone interact. energy: -0.944 local terms energy: -193.337115 where: bonds (distance) C4'-P energy: -48.284 bonds (distance) P-C4' energy: -63.936 flat angles C4'-P-C4' energy: -42.100 flat angles P-C4'-P energy: -20.591 tors. eta vs tors. theta energy: -18.426 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: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -379.645328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.645328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.645328 (E_RNA) where: Base-Base interactions energy: -203.412 where: short stacking energy: -111.865 Base-Backbone interact. energy: -3.124 local terms energy: -173.109176 where: bonds (distance) C4'-P energy: -54.881 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -37.220 flat angles P-C4'-P energy: -18.727 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1234.287192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.287192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.287192 (E_RNA) where: Base-Base interactions energy: -861.224 where: short stacking energy: -339.702 Base-Backbone interact. energy: -1.482 local terms energy: -371.580610 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -68.454 flat angles C4'-P-C4' energy: -76.928 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -102.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1150.147388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.147388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.147388 (E_RNA) where: Base-Base interactions energy: -818.892 where: short stacking energy: -301.055 Base-Backbone interact. energy: 0.137 local terms energy: -331.392565 where: bonds (distance) C4'-P energy: -52.018 bonds (distance) P-C4' energy: -68.068 flat angles C4'-P-C4' energy: -77.361 flat angles P-C4'-P energy: -43.262 tors. eta vs tors. theta energy: -90.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1104.654736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.654736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.654736 (E_RNA) where: Base-Base interactions energy: -767.742 where: short stacking energy: -302.654 Base-Backbone interact. energy: -3.918 local terms energy: -332.994417 where: bonds (distance) C4'-P energy: -61.420 bonds (distance) P-C4' energy: -62.878 flat angles C4'-P-C4' energy: -76.266 flat angles P-C4'-P energy: -46.227 tors. eta vs tors. theta energy: -86.203 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: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1081.244917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.244917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.244917 (E_RNA) where: Base-Base interactions energy: -755.479 where: short stacking energy: -321.940 Base-Backbone interact. energy: 0.318 local terms energy: -326.083826 where: bonds (distance) C4'-P energy: -63.303 bonds (distance) P-C4' energy: -57.756 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: -95.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -992.757157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.757157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.757157 (E_RNA) where: Base-Base interactions energy: -699.368 where: short stacking energy: -258.327 Base-Backbone interact. energy: -0.320 local terms energy: -293.069049 where: bonds (distance) C4'-P energy: -50.796 bonds (distance) P-C4' energy: -60.098 flat angles C4'-P-C4' energy: -62.511 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -78.812 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: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -865.105101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.105101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.105101 (E_RNA) where: Base-Base interactions energy: -586.114 where: short stacking energy: -266.561 Base-Backbone interact. energy: 3.481 local terms energy: -282.472082 where: bonds (distance) C4'-P energy: -51.443 bonds (distance) P-C4' energy: -56.633 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -27.142 tors. eta vs tors. theta energy: -84.160 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: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -772.536843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.536843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.536843 (E_RNA) where: Base-Base interactions energy: -500.426 where: short stacking energy: -223.091 Base-Backbone interact. energy: 3.559 local terms energy: -275.669361 where: bonds (distance) C4'-P energy: -54.338 bonds (distance) P-C4' energy: -56.364 flat angles C4'-P-C4' energy: -54.911 flat angles P-C4'-P energy: -49.199 tors. eta vs tors. theta energy: -60.858 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: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -839.309026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.309026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.309026 (E_RNA) where: Base-Base interactions energy: -554.524 where: short stacking energy: -229.388 Base-Backbone interact. energy: 2.230 local terms energy: -287.015287 where: bonds (distance) C4'-P energy: -53.016 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -72.909 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: -58.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -437.831393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.831393 (E_RNA) where: Base-Base interactions energy: -242.138 where: short stacking energy: -125.435 Base-Backbone interact. energy: -1.895 local terms energy: -193.798349 where: bonds (distance) C4'-P energy: -48.607 bonds (distance) P-C4' energy: -50.603 flat angles C4'-P-C4' energy: -48.652 flat angles P-C4'-P energy: -37.842 tors. eta vs tors. theta energy: -8.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -401.779378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.779378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.779378 (E_RNA) where: Base-Base interactions energy: -196.388 where: short stacking energy: -116.688 Base-Backbone interact. energy: 0.620 local terms energy: -206.011008 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -52.371 flat angles C4'-P-C4' energy: -43.568 flat angles P-C4'-P energy: -36.905 tors. eta vs tors. theta energy: -13.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1238.195556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.195556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.195556 (E_RNA) where: Base-Base interactions energy: -882.996 where: short stacking energy: -322.359 Base-Backbone interact. energy: -1.336 local terms energy: -353.863868 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -71.206 flat angles C4'-P-C4' energy: -76.442 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -96.859 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: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1151.711251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.711251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.711251 (E_RNA) where: Base-Base interactions energy: -808.967 where: short stacking energy: -303.975 Base-Backbone interact. energy: -0.619 local terms energy: -342.125048 where: bonds (distance) C4'-P energy: -51.588 bonds (distance) P-C4' energy: -67.591 flat angles C4'-P-C4' energy: -74.950 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -89.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1098.665006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.665006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.665006 (E_RNA) where: Base-Base interactions energy: -764.382 where: short stacking energy: -309.998 Base-Backbone interact. energy: 0.774 local terms energy: -335.056939 where: bonds (distance) C4'-P energy: -51.574 bonds (distance) P-C4' energy: -69.754 flat angles C4'-P-C4' energy: -72.369 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -91.724 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: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1052.767035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.767035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.767035 (E_RNA) where: Base-Base interactions energy: -737.320 where: short stacking energy: -288.442 Base-Backbone interact. energy: 4.852 local terms energy: -320.299957 where: bonds (distance) C4'-P energy: -53.490 bonds (distance) P-C4' energy: -70.374 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -38.602 tors. eta vs tors. theta energy: -89.322 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: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1007.979244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.979244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.979244 (E_RNA) where: Base-Base interactions energy: -683.327 where: short stacking energy: -265.631 Base-Backbone interact. energy: 0.330 local terms energy: -324.982903 where: bonds (distance) C4'-P energy: -61.301 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -50.220 tors. eta vs tors. theta energy: -79.319 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: 372 Temperature: 1.150000 Total energy: -899.161780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.161780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.161780 (E_RNA) where: Base-Base interactions energy: -591.856 where: short stacking energy: -260.994 Base-Backbone interact. energy: -0.679 local terms energy: -306.626578 where: bonds (distance) C4'-P energy: -56.623 bonds (distance) P-C4' energy: -56.509 flat angles C4'-P-C4' energy: -62.920 flat angles P-C4'-P energy: -52.296 tors. eta vs tors. theta energy: -78.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -767.331868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.331868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.331868 (E_RNA) where: Base-Base interactions energy: -490.337 where: short stacking energy: -195.198 Base-Backbone interact. energy: -0.961 local terms energy: -276.033961 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -64.574 flat angles P-C4'-P energy: -28.491 tors. eta vs tors. theta energy: -45.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -800.512797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.512797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.512797 (E_RNA) where: Base-Base interactions energy: -532.658 where: short stacking energy: -225.585 Base-Backbone interact. energy: -0.177 local terms energy: -267.677008 where: bonds (distance) C4'-P energy: -53.197 bonds (distance) P-C4' energy: -49.370 flat angles C4'-P-C4' energy: -59.458 flat angles P-C4'-P energy: -42.828 tors. eta vs tors. theta energy: -62.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -395.240120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.240120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.240120 (E_RNA) where: Base-Base interactions energy: -201.632 where: short stacking energy: -129.820 Base-Backbone interact. energy: 2.760 local terms energy: -196.368633 where: bonds (distance) C4'-P energy: -55.277 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -44.842 flat angles P-C4'-P energy: -20.455 tors. eta vs tors. theta energy: -15.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -376.018331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.018331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.018331 (E_RNA) where: Base-Base interactions energy: -187.678 where: short stacking energy: -102.095 Base-Backbone interact. energy: 6.177 local terms energy: -194.517232 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -52.232 flat angles C4'-P-C4' energy: -52.418 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: 2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1213.328621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.328621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.328621 (E_RNA) where: Base-Base interactions energy: -859.407 where: short stacking energy: -324.389 Base-Backbone interact. energy: 1.182 local terms energy: -355.103601 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -78.498 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -100.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1131.899046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.899046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.899046 (E_RNA) where: Base-Base interactions energy: -799.701 where: short stacking energy: -311.469 Base-Backbone interact. energy: -1.376 local terms energy: -330.821216 where: bonds (distance) C4'-P energy: -62.980 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -69.115 flat angles P-C4'-P energy: -52.199 tors. eta vs tors. theta energy: -83.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1058.691222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.691222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.691222 (E_RNA) where: Base-Base interactions energy: -716.079 where: short stacking energy: -285.376 Base-Backbone interact. energy: -0.094 local terms energy: -342.518258 where: bonds (distance) C4'-P energy: -68.097 bonds (distance) P-C4' energy: -65.077 flat angles C4'-P-C4' energy: -73.519 flat angles P-C4'-P energy: -49.742 tors. eta vs tors. theta energy: -86.083 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: 4, replica: 9 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1060.079203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.079203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.079203 (E_RNA) where: Base-Base interactions energy: -753.629 where: short stacking energy: -307.240 Base-Backbone interact. energy: -1.740 local terms energy: -304.710023 where: bonds (distance) C4'-P energy: -51.199 bonds (distance) P-C4' energy: -55.676 flat angles C4'-P-C4' energy: -63.060 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -87.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -985.021573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.021573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.021573 (E_RNA) where: Base-Base interactions energy: -670.311 where: short stacking energy: -265.737 Base-Backbone interact. energy: -1.188 local terms energy: -313.522577 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -61.401 flat angles C4'-P-C4' energy: -70.322 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: -79.826 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: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -878.970113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.970113 (E_RNA) where: Base-Base interactions energy: -596.762 where: short stacking energy: -262.753 Base-Backbone interact. energy: -0.810 local terms energy: -281.397558 where: bonds (distance) C4'-P energy: -59.337 bonds (distance) P-C4' energy: -61.004 flat angles C4'-P-C4' energy: -57.267 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -64.146 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: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -789.956088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.956088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.956088 (E_RNA) where: Base-Base interactions energy: -529.490 where: short stacking energy: -237.064 Base-Backbone interact. energy: -1.025 local terms energy: -259.440984 where: bonds (distance) C4'-P energy: -52.827 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -56.152 flat angles P-C4'-P energy: -36.248 tors. eta vs tors. theta energy: -56.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -729.332219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.332219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.332219 (E_RNA) where: Base-Base interactions energy: -461.219 where: short stacking energy: -186.709 Base-Backbone interact. energy: -0.731 local terms energy: -267.382005 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -46.510 tors. eta vs tors. theta energy: -41.830 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: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -419.050822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.050822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.050822 (E_RNA) where: Base-Base interactions energy: -216.930 where: short stacking energy: -124.736 Base-Backbone interact. energy: -1.970 local terms energy: -200.151378 where: bonds (distance) C4'-P energy: -54.607 bonds (distance) P-C4' energy: -54.589 flat angles C4'-P-C4' energy: -63.430 flat angles P-C4'-P energy: -22.973 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -373.453793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.453793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.453793 (E_RNA) where: Base-Base interactions energy: -182.506 where: short stacking energy: -99.565 Base-Backbone interact. energy: 3.497 local terms energy: -194.444603 where: bonds (distance) C4'-P energy: -45.970 bonds (distance) P-C4' energy: -60.085 flat angles C4'-P-C4' energy: -57.365 flat angles P-C4'-P energy: -23.786 tors. eta vs tors. theta energy: -7.239 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1229.407521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.407521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.407521 (E_RNA) where: Base-Base interactions energy: -860.284 where: short stacking energy: -316.770 Base-Backbone interact. energy: -3.127 local terms energy: -365.996261 where: bonds (distance) C4'-P energy: -72.566 bonds (distance) P-C4' energy: -67.383 flat angles C4'-P-C4' energy: -77.650 flat angles P-C4'-P energy: -51.674 tors. eta vs tors. theta energy: -96.723 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: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1159.120723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.120723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.120723 (E_RNA) where: Base-Base interactions energy: -806.759 where: short stacking energy: -307.240 Base-Backbone interact. energy: 0.508 local terms energy: -352.870116 where: bonds (distance) C4'-P energy: -66.541 bonds (distance) P-C4' energy: -71.493 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -82.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1082.106402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.106402 (E_RNA) where: Base-Base interactions energy: -746.888 where: short stacking energy: -303.888 Base-Backbone interact. energy: -1.747 local terms energy: -333.471021 where: bonds (distance) C4'-P energy: -55.567 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -45.853 tors. eta vs tors. theta energy: -95.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1059.102301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.102301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.102301 (E_RNA) where: Base-Base interactions energy: -739.244 where: short stacking energy: -288.225 Base-Backbone interact. energy: 1.246 local terms energy: -321.105175 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -57.447 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -46.776 tors. eta vs tors. theta energy: -82.020 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: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -989.787768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.787768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.787768 (E_RNA) where: Base-Base interactions energy: -686.432 where: short stacking energy: -263.639 Base-Backbone interact. energy: -0.108 local terms energy: -303.248380 where: bonds (distance) C4'-P energy: -56.034 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -46.749 tors. eta vs tors. theta energy: -75.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -870.647799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.647799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.647799 (E_RNA) where: Base-Base interactions energy: -588.881 where: short stacking energy: -264.357 Base-Backbone interact. energy: 1.519 local terms energy: -283.285810 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -63.673 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -41.361 tors. eta vs tors. theta energy: -71.491 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: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -767.790526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.790526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.790526 (E_RNA) where: Base-Base interactions energy: -512.618 where: short stacking energy: -219.018 Base-Backbone interact. energy: -1.053 local terms energy: -254.119057 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -45.211 flat angles C4'-P-C4' energy: -62.338 flat angles P-C4'-P energy: -32.440 tors. eta vs tors. theta energy: -56.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -753.153766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.153766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.153766 (E_RNA) where: Base-Base interactions energy: -481.481 where: short stacking energy: -209.501 Base-Backbone interact. energy: 0.170 local terms energy: -271.843714 where: bonds (distance) C4'-P energy: -61.736 bonds (distance) P-C4' energy: -58.606 flat angles C4'-P-C4' energy: -64.293 flat angles P-C4'-P energy: -38.676 tors. eta vs tors. theta energy: -48.533 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: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -437.132786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.132786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.132786 (E_RNA) where: Base-Base interactions energy: -239.650 where: short stacking energy: -130.305 Base-Backbone interact. energy: 0.596 local terms energy: -198.078224 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -54.553 flat angles C4'-P-C4' energy: -53.130 flat angles P-C4'-P energy: -20.203 tors. eta vs tors. theta energy: -13.208 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: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -390.787593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.787593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.787593 (E_RNA) where: Base-Base interactions energy: -221.027 where: short stacking energy: -110.857 Base-Backbone interact. energy: -0.215 local terms energy: -169.545975 where: bonds (distance) C4'-P energy: -51.687 bonds (distance) P-C4' energy: -50.850 flat angles C4'-P-C4' energy: -33.160 flat angles P-C4'-P energy: -30.797 tors. eta vs tors. theta energy: -3.051 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: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1233.924545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.924545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.924545 (E_RNA) where: Base-Base interactions energy: -875.563 where: short stacking energy: -334.455 Base-Backbone interact. energy: -2.806 local terms energy: -355.555258 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -71.122 flat angles C4'-P-C4' energy: -78.912 flat angles P-C4'-P energy: -48.397 tors. eta vs tors. theta energy: -98.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1147.526672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.526672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.526672 (E_RNA) where: Base-Base interactions energy: -827.727 where: short stacking energy: -320.926 Base-Backbone interact. energy: -2.281 local terms energy: -317.518118 where: bonds (distance) C4'-P energy: -60.065 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -69.478 flat angles P-C4'-P energy: -41.451 tors. eta vs tors. theta energy: -89.131 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: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1089.971935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.971935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.971935 (E_RNA) where: Base-Base interactions energy: -758.082 where: short stacking energy: -307.536 Base-Backbone interact. energy: -0.568 local terms energy: -331.321916 where: bonds (distance) C4'-P energy: -66.329 bonds (distance) P-C4' energy: -50.854 flat angles C4'-P-C4' energy: -63.890 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: -98.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1020.860639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.860639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.860639 (E_RNA) where: Base-Base interactions energy: -701.057 where: short stacking energy: -271.099 Base-Backbone interact. energy: -1.449 local terms energy: -318.354009 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -70.229 flat angles C4'-P-C4' energy: -64.192 flat angles P-C4'-P energy: -44.320 tors. eta vs tors. theta energy: -80.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1037.042250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.042250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.042250 (E_RNA) where: Base-Base interactions energy: -706.964 where: short stacking energy: -292.834 Base-Backbone interact. energy: -0.892 local terms energy: -329.185997 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -72.309 flat angles P-C4'-P energy: -49.067 tors. eta vs tors. theta energy: -91.075 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: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -809.504539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.504539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.504539 (E_RNA) where: Base-Base interactions energy: -514.046 where: short stacking energy: -223.351 Base-Backbone interact. energy: -0.391 local terms energy: -295.067662 where: bonds (distance) C4'-P energy: -58.723 bonds (distance) P-C4' energy: -66.782 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -36.616 tors. eta vs tors. theta energy: -61.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -842.909613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.909613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.909613 (E_RNA) where: Base-Base interactions energy: -561.266 where: short stacking energy: -236.625 Base-Backbone interact. energy: 0.663 local terms energy: -282.305750 where: bonds (distance) C4'-P energy: -47.269 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -57.085 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -66.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -718.471562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.471562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.471562 (E_RNA) where: Base-Base interactions energy: -476.771 where: short stacking energy: -208.984 Base-Backbone interact. energy: -0.627 local terms energy: -241.073294 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -43.328 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -40.458 tors. eta vs tors. theta energy: -43.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -418.860619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.860619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.860619 (E_RNA) where: Base-Base interactions energy: -202.505 where: short stacking energy: -127.041 Base-Backbone interact. energy: -0.025 local terms energy: -216.330563 where: bonds (distance) C4'-P energy: -60.749 bonds (distance) P-C4' energy: -62.091 flat angles C4'-P-C4' energy: -50.200 flat angles P-C4'-P energy: -25.658 tors. eta vs tors. theta energy: -17.633 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: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -395.958617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.958617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.958617 (E_RNA) where: Base-Base interactions energy: -210.304 where: short stacking energy: -112.518 Base-Backbone interact. energy: -0.739 local terms energy: -184.914986 where: bonds (distance) C4'-P energy: -59.761 bonds (distance) P-C4' energy: -50.024 flat angles C4'-P-C4' energy: -39.763 flat angles P-C4'-P energy: -28.918 tors. eta vs tors. theta energy: -6.451 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: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1240.765332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.765332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.765332 (E_RNA) where: Base-Base interactions energy: -883.525 where: short stacking energy: -342.311 Base-Backbone interact. energy: 0.898 local terms energy: -358.137819 where: bonds (distance) C4'-P energy: -70.596 bonds (distance) P-C4' energy: -65.694 flat angles C4'-P-C4' energy: -73.079 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -100.654 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: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1130.744207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.744207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.744207 (E_RNA) where: Base-Base interactions energy: -794.162 where: short stacking energy: -301.134 Base-Backbone interact. energy: -1.141 local terms energy: -335.442026 where: bonds (distance) C4'-P energy: -63.263 bonds (distance) P-C4' energy: -65.139 flat angles C4'-P-C4' energy: -71.869 flat angles P-C4'-P energy: -46.057 tors. eta vs tors. theta energy: -89.114 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: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1074.958405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.958405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.958405 (E_RNA) where: Base-Base interactions energy: -732.587 where: short stacking energy: -311.861 Base-Backbone interact. energy: -1.386 local terms energy: -340.985701 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -57.575 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -97.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1020.343572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.343572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.343572 (E_RNA) where: Base-Base interactions energy: -717.267 where: short stacking energy: -276.931 Base-Backbone interact. energy: -0.516 local terms energy: -302.560621 where: bonds (distance) C4'-P energy: -63.004 bonds (distance) P-C4' energy: -53.972 flat angles C4'-P-C4' energy: -66.817 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -83.465 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: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1037.038741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.038741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.038741 (E_RNA) where: Base-Base interactions energy: -705.639 where: short stacking energy: -294.245 Base-Backbone interact. energy: -2.037 local terms energy: -329.362863 where: bonds (distance) C4'-P energy: -60.432 bonds (distance) P-C4' energy: -63.804 flat angles C4'-P-C4' energy: -69.608 flat angles P-C4'-P energy: -42.085 tors. eta vs tors. theta energy: -93.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -822.594334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.594334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.594334 (E_RNA) where: Base-Base interactions energy: -532.237 where: short stacking energy: -236.093 Base-Backbone interact. energy: -0.443 local terms energy: -289.913872 where: bonds (distance) C4'-P energy: -57.735 bonds (distance) P-C4' energy: -59.637 flat angles C4'-P-C4' energy: -67.121 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -66.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -867.143161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.143161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.143161 (E_RNA) where: Base-Base interactions energy: -573.972 where: short stacking energy: -243.549 Base-Backbone interact. energy: -0.385 local terms energy: -292.786941 where: bonds (distance) C4'-P energy: -55.738 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -730.312697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.312697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.312697 (E_RNA) where: Base-Base interactions energy: -465.061 where: short stacking energy: -200.447 Base-Backbone interact. energy: -0.685 local terms energy: -264.566503 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -61.910 flat angles C4'-P-C4' energy: -58.921 flat angles P-C4'-P energy: -35.726 tors. eta vs tors. theta energy: -44.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -399.564133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.564133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.564133 (E_RNA) where: Base-Base interactions energy: -221.318 where: short stacking energy: -112.478 Base-Backbone interact. energy: -0.314 local terms energy: -177.931798 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -58.157 flat angles C4'-P-C4' energy: -46.180 flat angles P-C4'-P energy: -23.195 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -385.061902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.061902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.061902 (E_RNA) where: Base-Base interactions energy: -190.224 where: short stacking energy: -113.885 Base-Backbone interact. energy: -0.689 local terms energy: -194.148276 where: bonds (distance) C4'-P energy: -64.017 bonds (distance) P-C4' energy: -55.850 flat angles C4'-P-C4' energy: -45.504 flat angles P-C4'-P energy: -27.516 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1216.722629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.722629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.722629 (E_RNA) where: Base-Base interactions energy: -866.154 where: short stacking energy: -323.889 Base-Backbone interact. energy: -0.267 local terms energy: -350.301996 where: bonds (distance) C4'-P energy: -59.860 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -78.077 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -104.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1129.960691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.960691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.960691 (E_RNA) where: Base-Base interactions energy: -803.390 where: short stacking energy: -299.737 Base-Backbone interact. energy: -0.091 local terms energy: -326.479961 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -60.630 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -40.135 tors. eta vs tors. theta energy: -94.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1091.998565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.998565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.998565 (E_RNA) where: Base-Base interactions energy: -733.935 where: short stacking energy: -311.398 Base-Backbone interact. energy: -0.032 local terms energy: -358.031529 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -69.088 flat angles C4'-P-C4' energy: -75.234 flat angles P-C4'-P energy: -53.404 tors. eta vs tors. theta energy: -96.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1080.340126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.340126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.340126 (E_RNA) where: Base-Base interactions energy: -764.971 where: short stacking energy: -293.700 Base-Backbone interact. energy: 0.105 local terms energy: -315.473715 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -52.181 flat angles C4'-P-C4' energy: -70.042 flat angles P-C4'-P energy: -47.648 tors. eta vs tors. theta energy: -80.868 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: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -965.005012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.005012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.005012 (E_RNA) where: Base-Base interactions energy: -658.179 where: short stacking energy: -262.433 Base-Backbone interact. energy: 3.288 local terms energy: -310.114252 where: bonds (distance) C4'-P energy: -56.306 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -70.419 flat angles P-C4'-P energy: -29.870 tors. eta vs tors. theta energy: -89.722 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: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -850.270437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.270437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.270437 (E_RNA) where: Base-Base interactions energy: -571.878 where: short stacking energy: -246.997 Base-Backbone interact. energy: -0.527 local terms energy: -277.864827 where: bonds (distance) C4'-P energy: -56.657 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -29.449 tors. eta vs tors. theta energy: -62.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -780.351929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.351929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.351929 (E_RNA) where: Base-Base interactions energy: -512.161 where: short stacking energy: -218.352 Base-Backbone interact. energy: -1.114 local terms energy: -267.076776 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -61.278 flat angles C4'-P-C4' energy: -54.576 flat angles P-C4'-P energy: -35.283 tors. eta vs tors. theta energy: -60.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -741.351287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.351287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.351287 (E_RNA) where: Base-Base interactions energy: -513.409 where: short stacking energy: -217.588 Base-Backbone interact. energy: 1.741 local terms energy: -229.683414 where: bonds (distance) C4'-P energy: -47.681 bonds (distance) P-C4' energy: -52.527 flat angles C4'-P-C4' energy: -50.007 flat angles P-C4'-P energy: -29.046 tors. eta vs tors. theta energy: -50.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -387.009687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.009687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.009687 (E_RNA) where: Base-Base interactions energy: -188.651 where: short stacking energy: -98.506 Base-Backbone interact. energy: 2.757 local terms energy: -201.115681 where: bonds (distance) C4'-P energy: -58.714 bonds (distance) P-C4' energy: -56.309 flat angles C4'-P-C4' energy: -47.919 flat angles P-C4'-P energy: -35.120 tors. eta vs tors. theta energy: -3.054 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: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -394.790377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.790377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.790377 (E_RNA) where: Base-Base interactions energy: -195.141 where: short stacking energy: -121.685 Base-Backbone interact. energy: -1.667 local terms energy: -197.981794 where: bonds (distance) C4'-P energy: -47.148 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -51.078 flat angles P-C4'-P energy: -28.523 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1223.018350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.018350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.018350 (E_RNA) where: Base-Base interactions energy: -868.756 where: short stacking energy: -327.537 Base-Backbone interact. energy: -3.750 local terms energy: -350.512321 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -98.779 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: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1130.858851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.858851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.858851 (E_RNA) where: Base-Base interactions energy: -806.765 where: short stacking energy: -321.045 Base-Backbone interact. energy: -0.334 local terms energy: -323.759332 where: bonds (distance) C4'-P energy: -62.280 bonds (distance) P-C4' energy: -67.283 flat angles C4'-P-C4' energy: -56.451 flat angles P-C4'-P energy: -46.970 tors. eta vs tors. theta energy: -90.774 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: 378 Temperature: 1.000000 Total energy: -1083.444729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.444729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.444729 (E_RNA) where: Base-Base interactions energy: -738.938 where: short stacking energy: -333.666 Base-Backbone interact. energy: -0.546 local terms energy: -343.961414 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -64.015 flat angles C4'-P-C4' energy: -64.851 flat angles P-C4'-P energy: -51.043 tors. eta vs tors. theta energy: -103.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1048.357959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.357959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.357959 (E_RNA) where: Base-Base interactions energy: -727.643 where: short stacking energy: -279.943 Base-Backbone interact. energy: -2.753 local terms energy: -317.962139 where: bonds (distance) C4'-P energy: -64.555 bonds (distance) P-C4' energy: -61.411 flat angles C4'-P-C4' energy: -71.047 flat angles P-C4'-P energy: -31.675 tors. eta vs tors. theta energy: -89.274 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: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -981.902905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.902905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.902905 (E_RNA) where: Base-Base interactions energy: -696.447 where: short stacking energy: -303.297 Base-Backbone interact. energy: -0.421 local terms energy: -285.034674 where: bonds (distance) C4'-P energy: -59.021 bonds (distance) P-C4' energy: -49.048 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -23.622 tors. eta vs tors. theta energy: -93.487 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: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -869.729564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.729564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.729564 (E_RNA) where: Base-Base interactions energy: -574.499 where: short stacking energy: -243.540 Base-Backbone interact. energy: -0.432 local terms energy: -294.798783 where: bonds (distance) C4'-P energy: -63.611 bonds (distance) P-C4' energy: -56.517 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: -69.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -825.676852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.676852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.676852 (E_RNA) where: Base-Base interactions energy: -547.066 where: short stacking energy: -232.630 Base-Backbone interact. energy: -1.927 local terms energy: -276.684260 where: bonds (distance) C4'-P energy: -56.180 bonds (distance) P-C4' energy: -53.805 flat angles C4'-P-C4' energy: -60.888 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -64.372 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -785.072417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.072417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.072417 (E_RNA) where: Base-Base interactions energy: -517.460 where: short stacking energy: -236.039 Base-Backbone interact. energy: -1.270 local terms energy: -266.342502 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -58.051 flat angles C4'-P-C4' energy: -55.891 flat angles P-C4'-P energy: -27.068 tors. eta vs tors. theta energy: -63.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -422.559842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.559842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.559842 (E_RNA) where: Base-Base interactions energy: -228.609 where: short stacking energy: -122.598 Base-Backbone interact. energy: -2.416 local terms energy: -191.534368 where: bonds (distance) C4'-P energy: -44.316 bonds (distance) P-C4' energy: -61.796 flat angles C4'-P-C4' energy: -43.157 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -371.019003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.019003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.019003 (E_RNA) where: Base-Base interactions energy: -198.443 where: short stacking energy: -118.872 Base-Backbone interact. energy: 1.508 local terms energy: -174.084339 where: bonds (distance) C4'-P energy: -46.295 bonds (distance) P-C4' energy: -41.118 flat angles C4'-P-C4' energy: -49.338 flat angles P-C4'-P energy: -32.345 tors. eta vs tors. theta energy: -4.989 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: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1223.175134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.175134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.175134 (E_RNA) where: Base-Base interactions energy: -875.867 where: short stacking energy: -328.527 Base-Backbone interact. energy: -1.278 local terms energy: -346.030158 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -73.462 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -97.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1167.787844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.787844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.787844 (E_RNA) where: Base-Base interactions energy: -812.984 where: short stacking energy: -321.634 Base-Backbone interact. energy: -4.986 local terms energy: -349.817987 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -72.009 flat angles C4'-P-C4' energy: -67.710 flat angles P-C4'-P energy: -53.462 tors. eta vs tors. theta energy: -95.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1087.323661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.323661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.323661 (E_RNA) where: Base-Base interactions energy: -737.808 where: short stacking energy: -301.011 Base-Backbone interact. energy: -1.438 local terms energy: -348.077191 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -77.437 flat angles P-C4'-P energy: -52.379 tors. eta vs tors. theta energy: -98.653 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: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1049.872001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.872001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.872001 (E_RNA) where: Base-Base interactions energy: -735.874 where: short stacking energy: -286.798 Base-Backbone interact. energy: -3.550 local terms energy: -310.448255 where: bonds (distance) C4'-P energy: -62.688 bonds (distance) P-C4' energy: -63.608 flat angles C4'-P-C4' energy: -66.986 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: -81.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -991.744282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.744282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.744282 (E_RNA) where: Base-Base interactions energy: -698.132 where: short stacking energy: -274.080 Base-Backbone interact. energy: -0.439 local terms energy: -293.172514 where: bonds (distance) C4'-P energy: -56.321 bonds (distance) P-C4' energy: -56.473 flat angles C4'-P-C4' energy: -62.626 flat angles P-C4'-P energy: -36.714 tors. eta vs tors. theta energy: -81.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -838.710291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.710291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.710291 (E_RNA) where: Base-Base interactions energy: -556.253 where: short stacking energy: -241.885 Base-Backbone interact. energy: -1.595 local terms energy: -280.862801 where: bonds (distance) C4'-P energy: -64.537 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -36.688 tors. eta vs tors. theta energy: -52.583 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: 7 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -865.450725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.450725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.450725 (E_RNA) where: Base-Base interactions energy: -569.039 where: short stacking energy: -235.751 Base-Backbone interact. energy: -0.863 local terms energy: -295.549020 where: bonds (distance) C4'-P energy: -48.993 bonds (distance) P-C4' energy: -65.596 flat angles C4'-P-C4' energy: -63.655 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -71.184 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: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -801.734489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.734489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.734489 (E_RNA) where: Base-Base interactions energy: -535.246 where: short stacking energy: -224.905 Base-Backbone interact. energy: 0.178 local terms energy: -266.666790 where: bonds (distance) C4'-P energy: -54.494 bonds (distance) P-C4' energy: -51.896 flat angles C4'-P-C4' energy: -61.240 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: -63.493 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -420.461877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.461877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.461877 (E_RNA) where: Base-Base interactions energy: -228.304 where: short stacking energy: -126.853 Base-Backbone interact. energy: 1.431 local terms energy: -193.589544 where: bonds (distance) C4'-P energy: -48.790 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -33.531 flat angles P-C4'-P energy: -28.950 tors. eta vs tors. theta energy: -21.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -385.549724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.549724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.549724 (E_RNA) where: Base-Base interactions energy: -181.010 where: short stacking energy: -103.806 Base-Backbone interact. energy: 0.063 local terms energy: -204.602742 where: bonds (distance) C4'-P energy: -49.413 bonds (distance) P-C4' energy: -56.475 flat angles C4'-P-C4' energy: -50.140 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: -10.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1219.696952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.696952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.696952 (E_RNA) where: Base-Base interactions energy: -887.263 where: short stacking energy: -335.087 Base-Backbone interact. energy: 0.403 local terms energy: -332.837543 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -99.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1131.577911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.577911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.577911 (E_RNA) where: Base-Base interactions energy: -782.540 where: short stacking energy: -318.890 Base-Backbone interact. energy: -4.947 local terms energy: -344.091628 where: bonds (distance) C4'-P energy: -62.994 bonds (distance) P-C4' energy: -64.992 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -50.131 tors. eta vs tors. theta energy: -93.451 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: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1090.946932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.946932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.946932 (E_RNA) where: Base-Base interactions energy: -746.982 where: short stacking energy: -311.659 Base-Backbone interact. energy: -1.487 local terms energy: -342.477754 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -79.759 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -90.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1035.400541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.400541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.400541 (E_RNA) where: Base-Base interactions energy: -724.571 where: short stacking energy: -282.610 Base-Backbone interact. energy: -3.986 local terms energy: -306.843507 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -61.465 flat angles C4'-P-C4' energy: -62.010 flat angles P-C4'-P energy: -43.115 tors. eta vs tors. theta energy: -85.263 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: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -981.228072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.228072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.228072 (E_RNA) where: Base-Base interactions energy: -683.779 where: short stacking energy: -269.827 Base-Backbone interact. energy: 0.399 local terms energy: -297.848578 where: bonds (distance) C4'-P energy: -59.935 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -62.877 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: -80.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -867.079697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.079697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.079697 (E_RNA) where: Base-Base interactions energy: -591.894 where: short stacking energy: -239.453 Base-Backbone interact. energy: -1.531 local terms energy: -273.654363 where: bonds (distance) C4'-P energy: -51.123 bonds (distance) P-C4' energy: -56.717 flat angles C4'-P-C4' energy: -72.801 flat angles P-C4'-P energy: -31.719 tors. eta vs tors. theta energy: -61.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -823.807934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.807934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.807934 (E_RNA) where: Base-Base interactions energy: -543.932 where: short stacking energy: -251.040 Base-Backbone interact. energy: -0.636 local terms energy: -279.240100 where: bonds (distance) C4'-P energy: -50.343 bonds (distance) P-C4' energy: -55.521 flat angles C4'-P-C4' energy: -66.854 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -71.524 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -818.989739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.989739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.989739 (E_RNA) where: Base-Base interactions energy: -531.046 where: short stacking energy: -226.912 Base-Backbone interact. energy: -0.613 local terms energy: -287.331372 where: bonds (distance) C4'-P energy: -51.032 bonds (distance) P-C4' energy: -55.189 flat angles C4'-P-C4' energy: -72.141 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: -72.434 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: 380 Temperature: 1.300000 Total energy: -410.456368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.456368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.456368 (E_RNA) where: Base-Base interactions energy: -201.764 where: short stacking energy: -116.729 Base-Backbone interact. energy: -3.128 local terms energy: -205.564462 where: bonds (distance) C4'-P energy: -55.612 bonds (distance) P-C4' energy: -54.689 flat angles C4'-P-C4' energy: -49.633 flat angles P-C4'-P energy: -32.790 tors. eta vs tors. theta energy: -12.841 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: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -373.070838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.070838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.070838 (E_RNA) where: Base-Base interactions energy: -198.513 where: short stacking energy: -99.902 Base-Backbone interact. energy: -1.273 local terms energy: -173.285178 where: bonds (distance) C4'-P energy: -54.502 bonds (distance) P-C4' energy: -46.738 flat angles C4'-P-C4' energy: -39.719 flat angles P-C4'-P energy: -37.895 tors. eta vs tors. theta energy: 5.569 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: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1212.405097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.405097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.405097 (E_RNA) where: Base-Base interactions energy: -852.281 where: short stacking energy: -329.045 Base-Backbone interact. energy: -2.551 local terms energy: -357.572723 where: bonds (distance) C4'-P energy: -70.202 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -76.818 flat angles P-C4'-P energy: -54.021 tors. eta vs tors. theta energy: -88.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1138.347059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.347059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.347059 (E_RNA) where: Base-Base interactions energy: -805.549 where: short stacking energy: -327.411 Base-Backbone interact. energy: -0.394 local terms energy: -332.403833 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -58.480 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -39.616 tors. eta vs tors. theta energy: -102.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1082.428848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.428848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.428848 (E_RNA) where: Base-Base interactions energy: -741.196 where: short stacking energy: -314.357 Base-Backbone interact. energy: 0.680 local terms energy: -341.913399 where: bonds (distance) C4'-P energy: -53.610 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -100.051 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: 4, replica: 9 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1066.995079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.995079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.995079 (E_RNA) where: Base-Base interactions energy: -726.818 where: short stacking energy: -296.746 Base-Backbone interact. energy: -1.531 local terms energy: -338.645759 where: bonds (distance) C4'-P energy: -63.329 bonds (distance) P-C4' energy: -66.126 flat angles C4'-P-C4' energy: -67.751 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -93.719 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: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -994.380090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.380090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.380090 (E_RNA) where: Base-Base interactions energy: -695.303 where: short stacking energy: -276.644 Base-Backbone interact. energy: 1.222 local terms energy: -300.298722 where: bonds (distance) C4'-P energy: -55.764 bonds (distance) P-C4' energy: -58.741 flat angles C4'-P-C4' energy: -60.555 flat angles P-C4'-P energy: -37.586 tors. eta vs tors. theta energy: -87.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -922.368693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.368693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.368693 (E_RNA) where: Base-Base interactions energy: -633.198 where: short stacking energy: -260.660 Base-Backbone interact. energy: 1.545 local terms energy: -290.715860 where: bonds (distance) C4'-P energy: -44.656 bonds (distance) P-C4' energy: -66.730 flat angles C4'-P-C4' energy: -63.537 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -72.714 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: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -813.188794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.188794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.188794 (E_RNA) where: Base-Base interactions energy: -534.229 where: short stacking energy: -237.381 Base-Backbone interact. energy: 3.016 local terms energy: -281.975329 where: bonds (distance) C4'-P energy: -51.718 bonds (distance) P-C4' energy: -65.772 flat angles C4'-P-C4' energy: -58.236 flat angles P-C4'-P energy: -38.796 tors. eta vs tors. theta energy: -67.454 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: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -810.810118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.810118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.810118 (E_RNA) where: Base-Base interactions energy: -536.481 where: short stacking energy: -217.943 Base-Backbone interact. energy: -0.856 local terms energy: -273.472763 where: bonds (distance) C4'-P energy: -61.159 bonds (distance) P-C4' energy: -56.386 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -38.768 tors. eta vs tors. theta energy: -64.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -386.951722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.951722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.951722 (E_RNA) where: Base-Base interactions energy: -173.396 where: short stacking energy: -104.941 Base-Backbone interact. energy: 3.285 local terms energy: -216.840821 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -49.637 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: 0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -375.267928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.267928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.267928 (E_RNA) where: Base-Base interactions energy: -206.107 where: short stacking energy: -110.487 Base-Backbone interact. energy: 1.117 local terms energy: -170.277906 where: bonds (distance) C4'-P energy: -34.402 bonds (distance) P-C4' energy: -54.073 flat angles C4'-P-C4' energy: -44.587 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1220.134300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.134300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.134300 (E_RNA) where: Base-Base interactions energy: -861.105 where: short stacking energy: -330.905 Base-Backbone interact. energy: -1.886 local terms energy: -357.142390 where: bonds (distance) C4'-P energy: -67.425 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -80.003 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: -97.812 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: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1165.848896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.848896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.848896 (E_RNA) where: Base-Base interactions energy: -823.501 where: short stacking energy: -331.228 Base-Backbone interact. energy: -3.571 local terms energy: -338.776858 where: bonds (distance) C4'-P energy: -65.080 bonds (distance) P-C4' energy: -59.437 flat angles C4'-P-C4' energy: -75.007 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -98.597 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: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1099.766058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.766058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.766058 (E_RNA) where: Base-Base interactions energy: -756.767 where: short stacking energy: -319.918 Base-Backbone interact. energy: -0.501 local terms energy: -342.498091 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -75.153 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: -92.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1069.317721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.317721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.317721 (E_RNA) where: Base-Base interactions energy: -713.915 where: short stacking energy: -316.640 Base-Backbone interact. energy: -0.832 local terms energy: -354.570529 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -67.681 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -98.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -992.320970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.320970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.320970 (E_RNA) where: Base-Base interactions energy: -684.865 where: short stacking energy: -280.385 Base-Backbone interact. energy: -0.831 local terms energy: -306.625047 where: bonds (distance) C4'-P energy: -61.335 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -67.110 flat angles P-C4'-P energy: -30.073 tors. eta vs tors. theta energy: -87.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -968.749591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.749591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.749591 (E_RNA) where: Base-Base interactions energy: -677.380 where: short stacking energy: -270.595 Base-Backbone interact. energy: -0.858 local terms energy: -290.512189 where: bonds (distance) C4'-P energy: -58.631 bonds (distance) P-C4' energy: -40.484 flat angles C4'-P-C4' energy: -70.744 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -72.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -852.047849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.047849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.047849 (E_RNA) where: Base-Base interactions energy: -568.885 where: short stacking energy: -254.642 Base-Backbone interact. energy: -0.130 local terms energy: -283.032015 where: bonds (distance) C4'-P energy: -53.906 bonds (distance) P-C4' energy: -56.014 flat angles C4'-P-C4' energy: -56.774 flat angles P-C4'-P energy: -46.715 tors. eta vs tors. theta energy: -69.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -775.499914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.499914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.499914 (E_RNA) where: Base-Base interactions energy: -503.341 where: short stacking energy: -227.910 Base-Backbone interact. energy: 1.235 local terms energy: -273.394804 where: bonds (distance) C4'-P energy: -56.323 bonds (distance) P-C4' energy: -57.885 flat angles C4'-P-C4' energy: -56.444 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -56.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -403.270159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.270159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.270159 (E_RNA) where: Base-Base interactions energy: -204.605 where: short stacking energy: -117.351 Base-Backbone interact. energy: -0.336 local terms energy: -198.328395 where: bonds (distance) C4'-P energy: -49.532 bonds (distance) P-C4' energy: -62.121 flat angles C4'-P-C4' energy: -44.248 flat angles P-C4'-P energy: -36.003 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -388.480501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.480501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.480501 (E_RNA) where: Base-Base interactions energy: -207.843 where: short stacking energy: -116.891 Base-Backbone interact. energy: -1.077 local terms energy: -179.560421 where: bonds (distance) C4'-P energy: -44.077 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -39.219 flat angles P-C4'-P energy: -22.869 tors. eta vs tors. theta energy: -14.773 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: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1211.214342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.214342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.214342 (E_RNA) where: Base-Base interactions energy: -857.555 where: short stacking energy: -322.607 Base-Backbone interact. energy: -0.969 local terms energy: -352.690418 where: bonds (distance) C4'-P energy: -64.449 bonds (distance) P-C4' energy: -68.271 flat angles C4'-P-C4' energy: -75.540 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -92.104 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: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1153.742243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.742243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.742243 (E_RNA) where: Base-Base interactions energy: -825.362 where: short stacking energy: -311.989 Base-Backbone interact. energy: -2.638 local terms energy: -325.742274 where: bonds (distance) C4'-P energy: -58.672 bonds (distance) P-C4' energy: -55.048 flat angles C4'-P-C4' energy: -73.645 flat angles P-C4'-P energy: -43.419 tors. eta vs tors. theta energy: -94.958 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: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1124.833907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.833907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.833907 (E_RNA) where: Base-Base interactions energy: -783.975 where: short stacking energy: -311.022 Base-Backbone interact. energy: -1.538 local terms energy: -339.320597 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -60.444 flat angles C4'-P-C4' energy: -74.137 flat angles P-C4'-P energy: -54.556 tors. eta vs tors. theta energy: -94.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1039.184023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.184023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.184023 (E_RNA) where: Base-Base interactions energy: -729.646 where: short stacking energy: -315.732 Base-Backbone interact. energy: -0.796 local terms energy: -308.741449 where: bonds (distance) C4'-P energy: -50.548 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -91.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -992.864581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.864581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.864581 (E_RNA) where: Base-Base interactions energy: -682.350 where: short stacking energy: -278.996 Base-Backbone interact. energy: -0.745 local terms energy: -309.769637 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -54.800 flat angles C4'-P-C4' energy: -70.936 flat angles P-C4'-P energy: -38.002 tors. eta vs tors. theta energy: -87.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -912.576450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.576450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.576450 (E_RNA) where: Base-Base interactions energy: -621.705 where: short stacking energy: -265.694 Base-Backbone interact. energy: 2.458 local terms energy: -293.329491 where: bonds (distance) C4'-P energy: -48.118 bonds (distance) P-C4' energy: -59.745 flat angles C4'-P-C4' energy: -71.470 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -69.522 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: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -774.932066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.932066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.932066 (E_RNA) where: Base-Base interactions energy: -510.343 where: short stacking energy: -212.516 Base-Backbone interact. energy: 0.116 local terms energy: -264.704751 where: bonds (distance) C4'-P energy: -44.409 bonds (distance) P-C4' energy: -55.984 flat angles C4'-P-C4' energy: -67.677 flat angles P-C4'-P energy: -39.164 tors. eta vs tors. theta energy: -57.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -793.866724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.866724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.866724 (E_RNA) where: Base-Base interactions energy: -528.855 where: short stacking energy: -227.114 Base-Backbone interact. energy: 0.473 local terms energy: -265.484689 where: bonds (distance) C4'-P energy: -58.814 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -51.385 flat angles P-C4'-P energy: -35.293 tors. eta vs tors. theta energy: -63.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -399.025592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.025592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.025592 (E_RNA) where: Base-Base interactions energy: -203.781 where: short stacking energy: -104.915 Base-Backbone interact. energy: -0.183 local terms energy: -195.061025 where: bonds (distance) C4'-P energy: -50.938 bonds (distance) P-C4' energy: -52.694 flat angles C4'-P-C4' energy: -52.387 flat angles P-C4'-P energy: -38.662 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -383.459450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.459450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.459450 (E_RNA) where: Base-Base interactions energy: -211.732 where: short stacking energy: -109.284 Base-Backbone interact. energy: -0.864 local terms energy: -170.863384 where: bonds (distance) C4'-P energy: -61.381 bonds (distance) P-C4' energy: -63.453 flat angles C4'-P-C4' energy: -43.963 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: 1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1221.195762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.195762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.195762 (E_RNA) where: Base-Base interactions energy: -881.033 where: short stacking energy: -308.153 Base-Backbone interact. energy: -0.554 local terms energy: -339.609338 where: bonds (distance) C4'-P energy: -55.934 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -69.549 flat angles P-C4'-P energy: -50.720 tors. eta vs tors. theta energy: -97.551 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1145.810095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.810095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.810095 (E_RNA) where: Base-Base interactions energy: -799.567 where: short stacking energy: -307.371 Base-Backbone interact. energy: -2.203 local terms energy: -344.040256 where: bonds (distance) C4'-P energy: -69.727 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -65.717 flat angles P-C4'-P energy: -52.177 tors. eta vs tors. theta energy: -93.858 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: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1123.290290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.290290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.290290 (E_RNA) where: Base-Base interactions energy: -797.081 where: short stacking energy: -311.380 Base-Backbone interact. energy: -0.780 local terms energy: -325.429192 where: bonds (distance) C4'-P energy: -52.966 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -66.691 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -91.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1055.779607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.779607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.779607 (E_RNA) where: Base-Base interactions energy: -715.230 where: short stacking energy: -300.793 Base-Backbone interact. energy: -1.347 local terms energy: -339.203134 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -66.520 flat angles C4'-P-C4' energy: -71.376 flat angles P-C4'-P energy: -49.372 tors. eta vs tors. theta energy: -88.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -993.120506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.120506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.120506 (E_RNA) where: Base-Base interactions energy: -676.667 where: short stacking energy: -274.642 Base-Backbone interact. energy: -1.299 local terms energy: -315.153966 where: bonds (distance) C4'-P energy: -68.180 bonds (distance) P-C4' energy: -57.255 flat angles C4'-P-C4' energy: -62.987 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -83.128 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: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -993.816275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.816275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.816275 (E_RNA) where: Base-Base interactions energy: -674.545 where: short stacking energy: -259.507 Base-Backbone interact. energy: 0.722 local terms energy: -319.993220 where: bonds (distance) C4'-P energy: -64.517 bonds (distance) P-C4' energy: -64.791 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -39.516 tors. eta vs tors. theta energy: -83.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -817.152001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.152001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.152001 (E_RNA) where: Base-Base interactions energy: -549.729 where: short stacking energy: -237.023 Base-Backbone interact. energy: -0.124 local terms energy: -267.298388 where: bonds (distance) C4'-P energy: -43.980 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -61.738 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -57.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -744.717461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.717461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.717461 (E_RNA) where: Base-Base interactions energy: -480.517 where: short stacking energy: -195.547 Base-Backbone interact. energy: -0.636 local terms energy: -263.564768 where: bonds (distance) C4'-P energy: -61.796 bonds (distance) P-C4' energy: -57.332 flat angles C4'-P-C4' energy: -60.702 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: -49.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -406.142812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.142812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.142812 (E_RNA) where: Base-Base interactions energy: -215.606 where: short stacking energy: -115.528 Base-Backbone interact. energy: -0.286 local terms energy: -190.250747 where: bonds (distance) C4'-P energy: -51.347 bonds (distance) P-C4' energy: -55.139 flat angles C4'-P-C4' energy: -46.500 flat angles P-C4'-P energy: -26.839 tors. eta vs tors. theta energy: -10.426 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -400.000643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.000643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.000643 (E_RNA) where: Base-Base interactions energy: -205.406 where: short stacking energy: -132.171 Base-Backbone interact. energy: -1.302 local terms energy: -193.292861 where: bonds (distance) C4'-P energy: -59.066 bonds (distance) P-C4' energy: -51.200 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -29.286 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1223.580103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.580103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.580103 (E_RNA) where: Base-Base interactions energy: -873.333 where: short stacking energy: -305.417 Base-Backbone interact. energy: -3.769 local terms energy: -346.478857 where: bonds (distance) C4'-P energy: -66.004 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -76.555 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -89.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1136.870038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.870038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.870038 (E_RNA) where: Base-Base interactions energy: -790.672 where: short stacking energy: -326.331 Base-Backbone interact. energy: -0.901 local terms energy: -345.297762 where: bonds (distance) C4'-P energy: -60.537 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -69.634 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -96.195 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: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1122.790607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.790607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.790607 (E_RNA) where: Base-Base interactions energy: -785.039 where: short stacking energy: -311.406 Base-Backbone interact. energy: -1.285 local terms energy: -336.466018 where: bonds (distance) C4'-P energy: -72.567 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -36.093 tors. eta vs tors. theta energy: -91.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1038.826161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.826161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.826161 (E_RNA) where: Base-Base interactions energy: -716.851 where: short stacking energy: -284.938 Base-Backbone interact. energy: -1.106 local terms energy: -320.868903 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -65.518 flat angles C4'-P-C4' energy: -70.802 flat angles P-C4'-P energy: -40.525 tors. eta vs tors. theta energy: -84.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -993.080284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.080284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.080284 (E_RNA) where: Base-Base interactions energy: -676.681 where: short stacking energy: -281.829 Base-Backbone interact. energy: -1.474 local terms energy: -314.925103 where: bonds (distance) C4'-P energy: -60.190 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -62.729 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: -81.657 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: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -963.492813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.492813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.492813 (E_RNA) where: Base-Base interactions energy: -661.176 where: short stacking energy: -278.750 Base-Backbone interact. energy: 2.366 local terms energy: -304.682635 where: bonds (distance) C4'-P energy: -52.710 bonds (distance) P-C4' energy: -58.023 flat angles C4'-P-C4' energy: -71.499 flat angles P-C4'-P energy: -49.119 tors. eta vs tors. theta energy: -73.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -816.004616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.004616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.004616 (E_RNA) where: Base-Base interactions energy: -554.904 where: short stacking energy: -226.929 Base-Backbone interact. energy: 3.594 local terms energy: -264.695138 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -66.026 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: -68.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -722.914935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.914935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.914935 (E_RNA) where: Base-Base interactions energy: -455.537 where: short stacking energy: -197.868 Base-Backbone interact. energy: 2.861 local terms energy: -270.238872 where: bonds (distance) C4'-P energy: -62.392 bonds (distance) P-C4' energy: -61.178 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -40.133 tors. eta vs tors. theta energy: -47.704 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -452.083837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.083837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.083837 (E_RNA) where: Base-Base interactions energy: -244.351 where: short stacking energy: -134.694 Base-Backbone interact. energy: -0.011 local terms energy: -207.722231 where: bonds (distance) C4'-P energy: -51.493 bonds (distance) P-C4' energy: -56.179 flat angles C4'-P-C4' energy: -50.407 flat angles P-C4'-P energy: -32.083 tors. eta vs tors. theta energy: -17.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -387.699032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.699032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.699032 (E_RNA) where: Base-Base interactions energy: -200.186 where: short stacking energy: -104.613 Base-Backbone interact. energy: -0.504 local terms energy: -187.008736 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -61.963 flat angles C4'-P-C4' energy: -48.137 flat angles P-C4'-P energy: -19.932 tors. eta vs tors. theta energy: -7.111 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1225.450684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.450684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.450684 (E_RNA) where: Base-Base interactions energy: -879.375 where: short stacking energy: -327.998 Base-Backbone interact. energy: -3.170 local terms energy: -342.905720 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -65.812 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -42.920 tors. eta vs tors. theta energy: -95.967 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: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1127.756962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.756962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.756962 (E_RNA) where: Base-Base interactions energy: -776.067 where: short stacking energy: -310.001 Base-Backbone interact. energy: -1.432 local terms energy: -350.258007 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -70.883 flat angles C4'-P-C4' energy: -74.410 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -88.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1118.810868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.810868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.810868 (E_RNA) where: Base-Base interactions energy: -796.090 where: short stacking energy: -327.952 Base-Backbone interact. energy: -2.793 local terms energy: -319.927935 where: bonds (distance) C4'-P energy: -53.656 bonds (distance) P-C4' energy: -52.593 flat angles C4'-P-C4' energy: -64.936 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -106.738 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: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1044.239941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.239941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.239941 (E_RNA) where: Base-Base interactions energy: -714.491 where: short stacking energy: -293.666 Base-Backbone interact. energy: -0.589 local terms energy: -329.160224 where: bonds (distance) C4'-P energy: -59.521 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -75.616 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -91.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -993.151134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.151134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.151134 (E_RNA) where: Base-Base interactions energy: -682.177 where: short stacking energy: -280.579 Base-Backbone interact. energy: 1.165 local terms energy: -312.139020 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -61.605 flat angles C4'-P-C4' energy: -76.120 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: -85.820 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: 386 Temperature: 1.150000 Total energy: -914.816797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.816797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.816797 (E_RNA) where: Base-Base interactions energy: -619.921 where: short stacking energy: -257.816 Base-Backbone interact. energy: -0.436 local terms energy: -294.460622 where: bonds (distance) C4'-P energy: -61.325 bonds (distance) P-C4' energy: -52.852 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -71.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -860.231952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.231952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.231952 (E_RNA) where: Base-Base interactions energy: -567.712 where: short stacking energy: -238.043 Base-Backbone interact. energy: 0.186 local terms energy: -292.705716 where: bonds (distance) C4'-P energy: -57.453 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: -65.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -721.110907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.110907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.110907 (E_RNA) where: Base-Base interactions energy: -469.355 where: short stacking energy: -207.607 Base-Backbone interact. energy: -1.206 local terms energy: -250.549333 where: bonds (distance) C4'-P energy: -53.381 bonds (distance) P-C4' energy: -51.017 flat angles C4'-P-C4' energy: -56.523 flat angles P-C4'-P energy: -45.569 tors. eta vs tors. theta energy: -44.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -401.143634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.143634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.143634 (E_RNA) where: Base-Base interactions energy: -203.954 where: short stacking energy: -123.833 Base-Backbone interact. energy: 1.128 local terms energy: -198.317417 where: bonds (distance) C4'-P energy: -41.737 bonds (distance) P-C4' energy: -54.252 flat angles C4'-P-C4' energy: -51.642 flat angles P-C4'-P energy: -40.092 tors. eta vs tors. theta energy: -10.595 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: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -427.158108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.158108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.158108 (E_RNA) where: Base-Base interactions energy: -221.695 where: short stacking energy: -112.008 Base-Backbone interact. energy: 0.173 local terms energy: -205.636597 where: bonds (distance) C4'-P energy: -57.547 bonds (distance) P-C4' energy: -54.744 flat angles C4'-P-C4' energy: -52.364 flat angles P-C4'-P energy: -29.788 tors. eta vs tors. theta energy: -11.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1227.156945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.156945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.156945 (E_RNA) where: Base-Base interactions energy: -860.933 where: short stacking energy: -316.828 Base-Backbone interact. energy: -0.498 local terms energy: -365.725622 where: bonds (distance) C4'-P energy: -70.416 bonds (distance) P-C4' energy: -71.622 flat angles C4'-P-C4' energy: -71.458 flat angles P-C4'-P energy: -52.781 tors. eta vs tors. theta energy: -99.449 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: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1152.272884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.272884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.272884 (E_RNA) where: Base-Base interactions energy: -809.177 where: short stacking energy: -322.143 Base-Backbone interact. energy: -3.524 local terms energy: -339.572659 where: bonds (distance) C4'-P energy: -58.112 bonds (distance) P-C4' energy: -68.575 flat angles C4'-P-C4' energy: -71.312 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -97.209 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: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1089.399600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.399600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.399600 (E_RNA) where: Base-Base interactions energy: -760.915 where: short stacking energy: -308.556 Base-Backbone interact. energy: -1.143 local terms energy: -327.342173 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -71.151 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -38.365 tors. eta vs tors. theta energy: -91.343 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: 387 Temperature: 1.050000 Total energy: -1038.512846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.512846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.512846 (E_RNA) where: Base-Base interactions energy: -726.282 where: short stacking energy: -306.305 Base-Backbone interact. energy: 0.069 local terms energy: -312.300172 where: bonds (distance) C4'-P energy: -60.949 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -63.485 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1025.886524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.886524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.886524 (E_RNA) where: Base-Base interactions energy: -696.564 where: short stacking energy: -296.287 Base-Backbone interact. energy: 0.267 local terms energy: -329.588818 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -70.373 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -92.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -912.849411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.849411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.849411 (E_RNA) where: Base-Base interactions energy: -622.705 where: short stacking energy: -261.442 Base-Backbone interact. energy: 1.503 local terms energy: -291.647147 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -63.911 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -68.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -854.221180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.221180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.221180 (E_RNA) where: Base-Base interactions energy: -568.489 where: short stacking energy: -245.335 Base-Backbone interact. energy: -2.401 local terms energy: -283.331164 where: bonds (distance) C4'-P energy: -61.190 bonds (distance) P-C4' energy: -51.557 flat angles C4'-P-C4' energy: -68.076 flat angles P-C4'-P energy: -38.988 tors. eta vs tors. theta energy: -63.521 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: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -752.965688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.965688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.965688 (E_RNA) where: Base-Base interactions energy: -499.441 where: short stacking energy: -218.747 Base-Backbone interact. energy: -0.496 local terms energy: -253.028215 where: bonds (distance) C4'-P energy: -48.312 bonds (distance) P-C4' energy: -54.253 flat angles C4'-P-C4' energy: -58.030 flat angles P-C4'-P energy: -39.205 tors. eta vs tors. theta energy: -53.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -396.419828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.419828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.419828 (E_RNA) where: Base-Base interactions energy: -199.531 where: short stacking energy: -98.784 Base-Backbone interact. energy: -2.224 local terms energy: -194.665133 where: bonds (distance) C4'-P energy: -48.303 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -48.503 flat angles P-C4'-P energy: -22.326 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -375.222613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.222613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.222613 (E_RNA) where: Base-Base interactions energy: -192.129 where: short stacking energy: -103.071 Base-Backbone interact. energy: 0.607 local terms energy: -183.701531 where: bonds (distance) C4'-P energy: -50.289 bonds (distance) P-C4' energy: -43.453 flat angles C4'-P-C4' energy: -43.701 flat angles P-C4'-P energy: -43.695 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1232.878370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.878370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.878370 (E_RNA) where: Base-Base interactions energy: -875.735 where: short stacking energy: -305.688 Base-Backbone interact. energy: -3.704 local terms energy: -353.438924 where: bonds (distance) C4'-P energy: -71.040 bonds (distance) P-C4' energy: -72.363 flat angles C4'-P-C4' energy: -75.820 flat angles P-C4'-P energy: -40.184 tors. eta vs tors. theta energy: -94.031 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: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1141.506816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.506816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.506816 (E_RNA) where: Base-Base interactions energy: -795.958 where: short stacking energy: -310.094 Base-Backbone interact. energy: -2.471 local terms energy: -343.078173 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -68.381 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -95.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1114.468660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.468660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.468660 (E_RNA) where: Base-Base interactions energy: -799.806 where: short stacking energy: -315.315 Base-Backbone interact. energy: -2.225 local terms energy: -312.437334 where: bonds (distance) C4'-P energy: -49.210 bonds (distance) P-C4' energy: -58.475 flat angles C4'-P-C4' energy: -65.594 flat angles P-C4'-P energy: -46.238 tors. eta vs tors. theta energy: -92.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1030.183735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.183735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.183735 (E_RNA) where: Base-Base interactions energy: -714.548 where: short stacking energy: -304.716 Base-Backbone interact. energy: -0.779 local terms energy: -314.856128 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -56.204 flat angles C4'-P-C4' energy: -68.752 flat angles P-C4'-P energy: -44.663 tors. eta vs tors. theta energy: -83.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -989.003832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.003832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.003832 (E_RNA) where: Base-Base interactions energy: -677.461 where: short stacking energy: -282.554 Base-Backbone interact. energy: -0.843 local terms energy: -310.699680 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -64.725 flat angles C4'-P-C4' energy: -56.566 flat angles P-C4'-P energy: -42.613 tors. eta vs tors. theta energy: -81.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -954.563448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.563448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.563448 (E_RNA) where: Base-Base interactions energy: -647.357 where: short stacking energy: -268.233 Base-Backbone interact. energy: 1.934 local terms energy: -309.141020 where: bonds (distance) C4'-P energy: -60.611 bonds (distance) P-C4' energy: -63.742 flat angles C4'-P-C4' energy: -62.664 flat angles P-C4'-P energy: -44.303 tors. eta vs tors. theta energy: -77.821 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: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -846.270219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.270219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.270219 (E_RNA) where: Base-Base interactions energy: -564.175 where: short stacking energy: -228.226 Base-Backbone interact. energy: 0.425 local terms energy: -282.520045 where: bonds (distance) C4'-P energy: -54.371 bonds (distance) P-C4' energy: -66.244 flat angles C4'-P-C4' energy: -57.228 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: -63.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -751.391991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.391991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.391991 (E_RNA) where: Base-Base interactions energy: -519.715 where: short stacking energy: -220.081 Base-Backbone interact. energy: 0.027 local terms energy: -231.704516 where: bonds (distance) C4'-P energy: -45.113 bonds (distance) P-C4' energy: -42.749 flat angles C4'-P-C4' energy: -54.109 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: -53.232 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: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -403.558139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.558139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.558139 (E_RNA) where: Base-Base interactions energy: -194.948 where: short stacking energy: -109.809 Base-Backbone interact. energy: 0.033 local terms energy: -208.642988 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -46.413 flat angles P-C4'-P energy: -34.586 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -382.246708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.246708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.246708 (E_RNA) where: Base-Base interactions energy: -193.429 where: short stacking energy: -108.640 Base-Backbone interact. energy: -0.203 local terms energy: -188.614503 where: bonds (distance) C4'-P energy: -46.772 bonds (distance) P-C4' energy: -51.053 flat angles C4'-P-C4' energy: -58.498 flat angles P-C4'-P energy: -32.311 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1252.608692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.608692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.608692 (E_RNA) where: Base-Base interactions energy: -886.541 where: short stacking energy: -330.257 Base-Backbone interact. energy: -2.047 local terms energy: -364.021333 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -70.350 flat angles C4'-P-C4' energy: -76.684 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -101.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1138.019216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.019216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.019216 (E_RNA) where: Base-Base interactions energy: -801.501 where: short stacking energy: -312.539 Base-Backbone interact. energy: -1.243 local terms energy: -335.275010 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -42.517 tors. eta vs tors. theta energy: -93.092 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: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1078.487523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.487523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.487523 (E_RNA) where: Base-Base interactions energy: -743.958 where: short stacking energy: -302.981 Base-Backbone interact. energy: -2.429 local terms energy: -332.100081 where: bonds (distance) C4'-P energy: -63.731 bonds (distance) P-C4' energy: -56.978 flat angles C4'-P-C4' energy: -75.503 flat angles P-C4'-P energy: -43.514 tors. eta vs tors. theta energy: -92.374 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: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1037.570271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.570271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.570271 (E_RNA) where: Base-Base interactions energy: -699.623 where: short stacking energy: -304.617 Base-Backbone interact. energy: -0.682 local terms energy: -337.265395 where: bonds (distance) C4'-P energy: -51.998 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -72.260 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -95.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1003.636394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.636394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.636394 (E_RNA) where: Base-Base interactions energy: -681.778 where: short stacking energy: -277.418 Base-Backbone interact. energy: -1.521 local terms energy: -320.338122 where: bonds (distance) C4'-P energy: -61.424 bonds (distance) P-C4' energy: -60.388 flat angles C4'-P-C4' energy: -67.019 flat angles P-C4'-P energy: -45.433 tors. eta vs tors. theta energy: -86.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -917.040762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.040762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.040762 (E_RNA) where: Base-Base interactions energy: -624.555 where: short stacking energy: -255.808 Base-Backbone interact. energy: -0.009 local terms energy: -292.476409 where: bonds (distance) C4'-P energy: -49.418 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -66.003 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -81.535 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: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -827.075836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.075836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.075836 (E_RNA) where: Base-Base interactions energy: -528.256 where: short stacking energy: -213.779 Base-Backbone interact. energy: -1.033 local terms energy: -297.786741 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -65.923 flat angles P-C4'-P energy: -42.761 tors. eta vs tors. theta energy: -57.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -765.905242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.905242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.905242 (E_RNA) where: Base-Base interactions energy: -497.604 where: short stacking energy: -233.118 Base-Backbone interact. energy: 0.248 local terms energy: -268.548994 where: bonds (distance) C4'-P energy: -52.146 bonds (distance) P-C4' energy: -59.606 flat angles C4'-P-C4' energy: -60.619 flat angles P-C4'-P energy: -42.098 tors. eta vs tors. theta energy: -54.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -406.850893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.850893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.850893 (E_RNA) where: Base-Base interactions energy: -201.710 where: short stacking energy: -122.747 Base-Backbone interact. energy: -0.427 local terms energy: -204.713614 where: bonds (distance) C4'-P energy: -54.680 bonds (distance) P-C4' energy: -59.518 flat angles C4'-P-C4' energy: -53.666 flat angles P-C4'-P energy: -29.110 tors. eta vs tors. theta energy: -7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -385.791729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.791729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.791729 (E_RNA) where: Base-Base interactions energy: -173.292 where: short stacking energy: -103.980 Base-Backbone interact. energy: 2.156 local terms energy: -214.655496 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -49.964 flat angles P-C4'-P energy: -30.137 tors. eta vs tors. theta energy: -12.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1219.614898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.614898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.614898 (E_RNA) where: Base-Base interactions energy: -866.316 where: short stacking energy: -323.145 Base-Backbone interact. energy: -2.075 local terms energy: -351.223244 where: bonds (distance) C4'-P energy: -69.319 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -72.028 flat angles P-C4'-P energy: -48.925 tors. eta vs tors. theta energy: -96.440 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: 2, replica: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1150.186914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.186914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.186914 (E_RNA) where: Base-Base interactions energy: -793.778 where: short stacking energy: -319.781 Base-Backbone interact. energy: 0.232 local terms energy: -356.640159 where: bonds (distance) C4'-P energy: -69.696 bonds (distance) P-C4' energy: -70.266 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -93.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1040.045768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.045768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.045768 (E_RNA) where: Base-Base interactions energy: -701.960 where: short stacking energy: -314.939 Base-Backbone interact. energy: -0.330 local terms energy: -337.756002 where: bonds (distance) C4'-P energy: -61.360 bonds (distance) P-C4' energy: -66.256 flat angles C4'-P-C4' energy: -72.434 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -88.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1080.076799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.076799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.076799 (E_RNA) where: Base-Base interactions energy: -764.971 where: short stacking energy: -303.943 Base-Backbone interact. energy: 5.649 local terms energy: -320.754856 where: bonds (distance) C4'-P energy: -60.035 bonds (distance) P-C4' energy: -55.384 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -97.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -994.027024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.027024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.027024 (E_RNA) where: Base-Base interactions energy: -680.649 where: short stacking energy: -282.107 Base-Backbone interact. energy: -1.986 local terms energy: -311.392140 where: bonds (distance) C4'-P energy: -60.730 bonds (distance) P-C4' energy: -56.017 flat angles C4'-P-C4' energy: -67.712 flat angles P-C4'-P energy: -44.456 tors. eta vs tors. theta energy: -82.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -901.754492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.754492 (E_RNA) where: Base-Base interactions energy: -612.880 where: short stacking energy: -254.362 Base-Backbone interact. energy: 1.266 local terms energy: -290.140205 where: bonds (distance) C4'-P energy: -51.845 bonds (distance) P-C4' energy: -55.234 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -41.239 tors. eta vs tors. theta energy: -75.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -840.064353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.064353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.064353 (E_RNA) where: Base-Base interactions energy: -548.444 where: short stacking energy: -234.567 Base-Backbone interact. energy: -0.979 local terms energy: -290.640968 where: bonds (distance) C4'-P energy: -60.386 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: -63.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -745.253686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.253686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.253686 (E_RNA) where: Base-Base interactions energy: -477.656 where: short stacking energy: -199.567 Base-Backbone interact. energy: -2.083 local terms energy: -265.514755 where: bonds (distance) C4'-P energy: -55.302 bonds (distance) P-C4' energy: -61.286 flat angles C4'-P-C4' energy: -57.606 flat angles P-C4'-P energy: -36.468 tors. eta vs tors. theta energy: -54.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -430.703652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.703652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.703652 (E_RNA) where: Base-Base interactions energy: -222.600 where: short stacking energy: -123.504 Base-Backbone interact. energy: -1.973 local terms energy: -206.131196 where: bonds (distance) C4'-P energy: -53.375 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -7.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -383.436999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.436999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.436999 (E_RNA) where: Base-Base interactions energy: -193.767 where: short stacking energy: -117.478 Base-Backbone interact. energy: -1.583 local terms energy: -188.086559 where: bonds (distance) C4'-P energy: -50.208 bonds (distance) P-C4' energy: -59.484 flat angles C4'-P-C4' energy: -52.842 flat angles P-C4'-P energy: -24.372 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1224.637795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.637795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.637795 (E_RNA) where: Base-Base interactions energy: -879.281 where: short stacking energy: -323.806 Base-Backbone interact. energy: -1.750 local terms energy: -343.606305 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -64.122 flat angles C4'-P-C4' energy: -72.218 flat angles P-C4'-P energy: -44.395 tors. eta vs tors. theta energy: -98.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1136.519442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.519442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.519442 (E_RNA) where: Base-Base interactions energy: -798.837 where: short stacking energy: -301.664 Base-Backbone interact. energy: -1.337 local terms energy: -336.345443 where: bonds (distance) C4'-P energy: -66.189 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -86.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1039.749337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.749337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.749337 (E_RNA) where: Base-Base interactions energy: -691.370 where: short stacking energy: -293.603 Base-Backbone interact. energy: 0.489 local terms energy: -348.867980 where: bonds (distance) C4'-P energy: -70.069 bonds (distance) P-C4' energy: -72.903 flat angles C4'-P-C4' energy: -76.790 flat angles P-C4'-P energy: -40.215 tors. eta vs tors. theta energy: -88.891 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: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1065.064746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.064746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.064746 (E_RNA) where: Base-Base interactions energy: -728.500 where: short stacking energy: -301.142 Base-Backbone interact. energy: -0.695 local terms energy: -335.869349 where: bonds (distance) C4'-P energy: -68.775 bonds (distance) P-C4' energy: -61.376 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -89.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1023.949867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.949867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.949867 (E_RNA) where: Base-Base interactions energy: -693.531 where: short stacking energy: -281.202 Base-Backbone interact. energy: 0.281 local terms energy: -330.699990 where: bonds (distance) C4'-P energy: -58.932 bonds (distance) P-C4' energy: -65.307 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -84.830 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: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -905.737550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.737550 (E_RNA) where: Base-Base interactions energy: -621.309 where: short stacking energy: -257.407 Base-Backbone interact. energy: 1.117 local terms energy: -285.545113 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -57.068 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -38.089 tors. eta vs tors. theta energy: -69.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -833.764299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.764299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.764299 (E_RNA) where: Base-Base interactions energy: -563.281 where: short stacking energy: -243.764 Base-Backbone interact. energy: -1.520 local terms energy: -268.963307 where: bonds (distance) C4'-P energy: -48.412 bonds (distance) P-C4' energy: -53.232 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -65.249 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -706.499186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.499186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.499186 (E_RNA) where: Base-Base interactions energy: -442.677 where: short stacking energy: -204.891 Base-Backbone interact. energy: 0.747 local terms energy: -264.568673 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -56.320 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -32.000 tors. eta vs tors. theta energy: -50.970 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: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -405.308110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.308110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.308110 (E_RNA) where: Base-Base interactions energy: -197.764 where: short stacking energy: -105.166 Base-Backbone interact. energy: -0.218 local terms energy: -207.326689 where: bonds (distance) C4'-P energy: -54.376 bonds (distance) P-C4' energy: -51.764 flat angles C4'-P-C4' energy: -53.273 flat angles P-C4'-P energy: -20.937 tors. eta vs tors. theta energy: -26.976 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: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -383.769426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.769426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.769426 (E_RNA) where: Base-Base interactions energy: -204.268 where: short stacking energy: -127.014 Base-Backbone interact. energy: -0.623 local terms energy: -178.878639 where: bonds (distance) C4'-P energy: -40.623 bonds (distance) P-C4' energy: -50.811 flat angles C4'-P-C4' energy: -54.045 flat angles P-C4'-P energy: -29.397 tors. eta vs tors. theta energy: -4.003 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: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1228.340056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.340056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.340056 (E_RNA) where: Base-Base interactions energy: -872.266 where: short stacking energy: -321.721 Base-Backbone interact. energy: -0.721 local terms energy: -355.352545 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -81.781 flat angles P-C4'-P energy: -46.243 tors. eta vs tors. theta energy: -100.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1140.857890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.857890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.857890 (E_RNA) where: Base-Base interactions energy: -800.701 where: short stacking energy: -319.366 Base-Backbone interact. energy: -0.256 local terms energy: -339.901191 where: bonds (distance) C4'-P energy: -71.102 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -39.186 tors. eta vs tors. theta energy: -89.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1098.836938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.836938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.836938 (E_RNA) where: Base-Base interactions energy: -766.273 where: short stacking energy: -299.417 Base-Backbone interact. energy: -0.009 local terms energy: -332.554918 where: bonds (distance) C4'-P energy: -74.899 bonds (distance) P-C4' energy: -62.256 flat angles C4'-P-C4' energy: -68.748 flat angles P-C4'-P energy: -39.380 tors. eta vs tors. theta energy: -87.273 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: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -977.542492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.542492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.542492 (E_RNA) where: Base-Base interactions energy: -668.842 where: short stacking energy: -283.044 Base-Backbone interact. energy: -1.718 local terms energy: -306.981883 where: bonds (distance) C4'-P energy: -56.535 bonds (distance) P-C4' energy: -55.788 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -39.243 tors. eta vs tors. theta energy: -86.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1034.398418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.398418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.398418 (E_RNA) where: Base-Base interactions energy: -701.342 where: short stacking energy: -310.120 Base-Backbone interact. energy: -0.180 local terms energy: -332.876341 where: bonds (distance) C4'-P energy: -50.367 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -73.644 flat angles P-C4'-P energy: -52.485 tors. eta vs tors. theta energy: -98.409 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: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -916.425043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.425043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.425043 (E_RNA) where: Base-Base interactions energy: -605.791 where: short stacking energy: -263.250 Base-Backbone interact. energy: -1.025 local terms energy: -309.608633 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -63.621 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -74.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -836.252065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.252065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.252065 (E_RNA) where: Base-Base interactions energy: -561.631 where: short stacking energy: -243.442 Base-Backbone interact. energy: 4.653 local terms energy: -279.274349 where: bonds (distance) C4'-P energy: -58.422 bonds (distance) P-C4' energy: -47.205 flat angles C4'-P-C4' energy: -61.995 flat angles P-C4'-P energy: -36.070 tors. eta vs tors. theta energy: -75.583 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: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -723.881276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.881276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.881276 (E_RNA) where: Base-Base interactions energy: -492.280 where: short stacking energy: -215.633 Base-Backbone interact. energy: 6.290 local terms energy: -237.891955 where: bonds (distance) C4'-P energy: -44.589 bonds (distance) P-C4' energy: -60.352 flat angles C4'-P-C4' energy: -48.522 flat angles P-C4'-P energy: -27.652 tors. eta vs tors. theta energy: -56.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -388.613865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.613865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.613865 (E_RNA) where: Base-Base interactions energy: -202.656 where: short stacking energy: -114.428 Base-Backbone interact. energy: 0.459 local terms energy: -186.417302 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -52.381 flat angles C4'-P-C4' energy: -56.565 flat angles P-C4'-P energy: -16.248 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -391.755685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.755685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.755685 (E_RNA) where: Base-Base interactions energy: -173.554 where: short stacking energy: -99.556 Base-Backbone interact. energy: -0.583 local terms energy: -217.619166 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -54.769 flat angles P-C4'-P energy: -38.251 tors. eta vs tors. theta energy: 0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1226.457693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.457693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.457693 (E_RNA) where: Base-Base interactions energy: -881.458 where: short stacking energy: -320.548 Base-Backbone interact. energy: -1.548 local terms energy: -343.452011 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -65.803 flat angles C4'-P-C4' energy: -73.551 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -96.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1150.039144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.039144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.039144 (E_RNA) where: Base-Base interactions energy: -799.766 where: short stacking energy: -323.142 Base-Backbone interact. energy: 0.792 local terms energy: -351.064408 where: bonds (distance) C4'-P energy: -56.715 bonds (distance) P-C4' energy: -71.014 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -100.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1129.372528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.372528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.372528 (E_RNA) where: Base-Base interactions energy: -825.089 where: short stacking energy: -326.703 Base-Backbone interact. energy: -1.129 local terms energy: -303.154653 where: bonds (distance) C4'-P energy: -52.145 bonds (distance) P-C4' energy: -51.659 flat angles C4'-P-C4' energy: -63.313 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -88.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1027.414675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.414675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.414675 (E_RNA) where: Base-Base interactions energy: -690.576 where: short stacking energy: -304.658 Base-Backbone interact. energy: -1.624 local terms energy: -335.215089 where: bonds (distance) C4'-P energy: -65.554 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -68.592 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -90.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -969.310513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.310513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.310513 (E_RNA) where: Base-Base interactions energy: -658.595 where: short stacking energy: -277.007 Base-Backbone interact. energy: -0.859 local terms energy: -309.857150 where: bonds (distance) C4'-P energy: -66.303 bonds (distance) P-C4' energy: -68.767 flat angles C4'-P-C4' energy: -54.482 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -76.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -925.822145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.822145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.822145 (E_RNA) where: Base-Base interactions energy: -615.045 where: short stacking energy: -263.525 Base-Backbone interact. energy: -1.895 local terms energy: -308.882023 where: bonds (distance) C4'-P energy: -57.491 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -60.045 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -77.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -809.186031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.186031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.186031 (E_RNA) where: Base-Base interactions energy: -541.582 where: short stacking energy: -220.961 Base-Backbone interact. energy: -0.504 local terms energy: -267.099360 where: bonds (distance) C4'-P energy: -60.449 bonds (distance) P-C4' energy: -48.487 flat angles C4'-P-C4' energy: -60.835 flat angles P-C4'-P energy: -38.207 tors. eta vs tors. theta energy: -59.122 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: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -727.671615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.671615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.671615 (E_RNA) where: Base-Base interactions energy: -464.359 where: short stacking energy: -191.763 Base-Backbone interact. energy: -0.773 local terms energy: -262.538988 where: bonds (distance) C4'-P energy: -63.638 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -53.629 flat angles P-C4'-P energy: -32.966 tors. eta vs tors. theta energy: -52.686 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: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -406.389666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.389666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.389666 (E_RNA) where: Base-Base interactions energy: -185.209 where: short stacking energy: -103.535 Base-Backbone interact. energy: 0.680 local terms energy: -221.860284 where: bonds (distance) C4'-P energy: -49.809 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -64.564 flat angles P-C4'-P energy: -36.185 tors. eta vs tors. theta energy: -9.410 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: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -378.274507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.274507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.274507 (E_RNA) where: Base-Base interactions energy: -198.072 where: short stacking energy: -99.567 Base-Backbone interact. energy: 0.331 local terms energy: -180.533518 where: bonds (distance) C4'-P energy: -46.549 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -39.589 flat angles P-C4'-P energy: -32.825 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1232.599419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.599419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.599419 (E_RNA) where: Base-Base interactions energy: -880.881 where: short stacking energy: -337.119 Base-Backbone interact. energy: 1.912 local terms energy: -353.630188 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -65.809 flat angles C4'-P-C4' energy: -73.940 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -98.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1138.994253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.994253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.994253 (E_RNA) where: Base-Base interactions energy: -785.078 where: short stacking energy: -343.436 Base-Backbone interact. energy: -0.602 local terms energy: -353.314166 where: bonds (distance) C4'-P energy: -66.375 bonds (distance) P-C4' energy: -63.194 flat angles C4'-P-C4' energy: -80.759 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: -96.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1160.360179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.360179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.360179 (E_RNA) where: Base-Base interactions energy: -819.053 where: short stacking energy: -340.238 Base-Backbone interact. energy: -2.233 local terms energy: -339.073896 where: bonds (distance) C4'-P energy: -58.586 bonds (distance) P-C4' energy: -65.565 flat angles C4'-P-C4' energy: -67.744 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -97.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1047.266459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.266459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.266459 (E_RNA) where: Base-Base interactions energy: -701.161 where: short stacking energy: -291.451 Base-Backbone interact. energy: 0.558 local terms energy: -346.663540 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -68.078 flat angles C4'-P-C4' energy: -73.355 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -93.835 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: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -905.286104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.286104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.286104 (E_RNA) where: Base-Base interactions energy: -604.454 where: short stacking energy: -268.821 Base-Backbone interact. energy: -3.199 local terms energy: -297.632863 where: bonds (distance) C4'-P energy: -51.504 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -51.807 flat angles P-C4'-P energy: -47.882 tors. eta vs tors. theta energy: -76.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -960.995187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.995187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.995187 (E_RNA) where: Base-Base interactions energy: -667.808 where: short stacking energy: -264.908 Base-Backbone interact. energy: -2.042 local terms energy: -291.145630 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -54.453 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -46.629 tors. eta vs tors. theta energy: -76.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -800.969156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.969156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.969156 (E_RNA) where: Base-Base interactions energy: -525.786 where: short stacking energy: -219.073 Base-Backbone interact. energy: -0.816 local terms energy: -274.367753 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -57.884 flat angles C4'-P-C4' energy: -57.508 flat angles P-C4'-P energy: -47.308 tors. eta vs tors. theta energy: -48.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -746.687199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.687199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.687199 (E_RNA) where: Base-Base interactions energy: -503.342 where: short stacking energy: -216.125 Base-Backbone interact. energy: 0.388 local terms energy: -243.733541 where: bonds (distance) C4'-P energy: -48.485 bonds (distance) P-C4' energy: -55.455 flat angles C4'-P-C4' energy: -60.714 flat angles P-C4'-P energy: -22.371 tors. eta vs tors. theta energy: -56.709 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: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -395.008020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.008020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.008020 (E_RNA) where: Base-Base interactions energy: -201.010 where: short stacking energy: -120.171 Base-Backbone interact. energy: -1.369 local terms energy: -192.628988 where: bonds (distance) C4'-P energy: -41.785 bonds (distance) P-C4' energy: -61.784 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -20.081 tors. eta vs tors. theta energy: -10.673 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: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -375.881484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.881484 (E_RNA) where: Base-Base interactions energy: -190.421 where: short stacking energy: -103.893 Base-Backbone interact. energy: -0.665 local terms energy: -184.796252 where: bonds (distance) C4'-P energy: -59.501 bonds (distance) P-C4' energy: -52.374 flat angles C4'-P-C4' energy: -45.592 flat angles P-C4'-P energy: -32.209 tors. eta vs tors. theta energy: 4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1216.671410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.671410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.671410 (E_RNA) where: Base-Base interactions energy: -843.155 where: short stacking energy: -313.553 Base-Backbone interact. energy: -1.776 local terms energy: -371.739971 where: bonds (distance) C4'-P energy: -65.832 bonds (distance) P-C4' energy: -75.272 flat angles C4'-P-C4' energy: -78.081 flat angles P-C4'-P energy: -56.186 tors. eta vs tors. theta energy: -96.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1130.183160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.183160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.183160 (E_RNA) where: Base-Base interactions energy: -786.931 where: short stacking energy: -323.570 Base-Backbone interact. energy: -0.809 local terms energy: -342.443268 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -73.128 flat angles P-C4'-P energy: -49.573 tors. eta vs tors. theta energy: -96.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1130.259999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.259999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.259999 (E_RNA) where: Base-Base interactions energy: -792.169 where: short stacking energy: -321.156 Base-Backbone interact. energy: -0.926 local terms energy: -337.164937 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -63.955 flat angles C4'-P-C4' energy: -76.166 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -89.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1067.226880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.226880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.226880 (E_RNA) where: Base-Base interactions energy: -731.257 where: short stacking energy: -314.906 Base-Backbone interact. energy: -1.344 local terms energy: -334.626808 where: bonds (distance) C4'-P energy: -71.827 bonds (distance) P-C4' energy: -57.823 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -100.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -941.960842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.960842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.960842 (E_RNA) where: Base-Base interactions energy: -616.996 where: short stacking energy: -273.248 Base-Backbone interact. energy: 2.591 local terms energy: -327.556020 where: bonds (distance) C4'-P energy: -57.722 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -69.287 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: -82.830 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: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -977.273717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.273717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.273717 (E_RNA) where: Base-Base interactions energy: -664.803 where: short stacking energy: -277.533 Base-Backbone interact. energy: 0.263 local terms energy: -312.733713 where: bonds (distance) C4'-P energy: -60.526 bonds (distance) P-C4' energy: -53.275 flat angles C4'-P-C4' energy: -64.181 flat angles P-C4'-P energy: -49.594 tors. eta vs tors. theta energy: -85.158 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: 7, replica: 7 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -836.740778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.740778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.740778 (E_RNA) where: Base-Base interactions energy: -548.213 where: short stacking energy: -229.812 Base-Backbone interact. energy: -1.075 local terms energy: -287.452320 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -63.108 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -33.041 tors. eta vs tors. theta energy: -70.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -739.339558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.339558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.339558 (E_RNA) where: Base-Base interactions energy: -473.281 where: short stacking energy: -229.496 Base-Backbone interact. energy: -0.376 local terms energy: -265.682259 where: bonds (distance) C4'-P energy: -57.325 bonds (distance) P-C4' energy: -46.430 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -37.132 tors. eta vs tors. theta energy: -57.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -404.770758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.770758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.770758 (E_RNA) where: Base-Base interactions energy: -210.409 where: short stacking energy: -132.781 Base-Backbone interact. energy: 0.485 local terms energy: -194.846676 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -58.039 flat angles C4'-P-C4' energy: -49.086 flat angles P-C4'-P energy: -22.049 tors. eta vs tors. theta energy: -13.232 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -392.091415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.091415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.091415 (E_RNA) where: Base-Base interactions energy: -208.331 where: short stacking energy: -102.251 Base-Backbone interact. energy: 1.749 local terms energy: -185.509219 where: bonds (distance) C4'-P energy: -47.302 bonds (distance) P-C4' energy: -56.521 flat angles C4'-P-C4' energy: -40.265 flat angles P-C4'-P energy: -45.556 tors. eta vs tors. theta energy: 4.136 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: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1212.487437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.487437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.487437 (E_RNA) where: Base-Base interactions energy: -857.504 where: short stacking energy: -332.792 Base-Backbone interact. energy: -1.066 local terms energy: -353.917278 where: bonds (distance) C4'-P energy: -70.173 bonds (distance) P-C4' energy: -68.673 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -94.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1095.433949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.433949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.433949 (E_RNA) where: Base-Base interactions energy: -757.328 where: short stacking energy: -297.340 Base-Backbone interact. energy: -3.617 local terms energy: -334.488795 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -59.886 flat angles C4'-P-C4' energy: -69.561 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -97.185 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: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1125.338450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.338450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.338450 (E_RNA) where: Base-Base interactions energy: -778.881 where: short stacking energy: -305.374 Base-Backbone interact. energy: -1.493 local terms energy: -344.964854 where: bonds (distance) C4'-P energy: -71.182 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -46.871 tors. eta vs tors. theta energy: -90.890 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: 4, replica: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1050.628035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.628035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.628035 (E_RNA) where: Base-Base interactions energy: -713.923 where: short stacking energy: -306.639 Base-Backbone interact. energy: -1.545 local terms energy: -335.160626 where: bonds (distance) C4'-P energy: -60.476 bonds (distance) P-C4' energy: -64.615 flat angles C4'-P-C4' energy: -68.920 flat angles P-C4'-P energy: -45.028 tors. eta vs tors. theta energy: -96.121 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: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -946.160321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.160321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.160321 (E_RNA) where: Base-Base interactions energy: -647.218 where: short stacking energy: -260.818 Base-Backbone interact. energy: -0.475 local terms energy: -298.466653 where: bonds (distance) C4'-P energy: -60.746 bonds (distance) P-C4' energy: -59.694 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -70.013 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: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -911.197919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.197919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.197919 (E_RNA) where: Base-Base interactions energy: -612.146 where: short stacking energy: -278.927 Base-Backbone interact. energy: -1.868 local terms energy: -297.183455 where: bonds (distance) C4'-P energy: -54.004 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -62.896 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -75.835 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: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -830.138967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.138967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.138967 (E_RNA) where: Base-Base interactions energy: -552.430 where: short stacking energy: -235.285 Base-Backbone interact. energy: -0.131 local terms energy: -277.578238 where: bonds (distance) C4'-P energy: -65.766 bonds (distance) P-C4' energy: -46.065 flat angles C4'-P-C4' energy: -66.962 flat angles P-C4'-P energy: -39.040 tors. eta vs tors. theta energy: -59.745 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: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -737.519020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.519020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.519020 (E_RNA) where: Base-Base interactions energy: -472.091 where: short stacking energy: -210.003 Base-Backbone interact. energy: -0.388 local terms energy: -265.039677 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -61.329 flat angles C4'-P-C4' energy: -51.151 flat angles P-C4'-P energy: -37.511 tors. eta vs tors. theta energy: -55.538 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: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -417.683585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.683585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.683585 (E_RNA) where: Base-Base interactions energy: -219.823 where: short stacking energy: -120.174 Base-Backbone interact. energy: 0.883 local terms energy: -198.744110 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -43.487 flat angles P-C4'-P energy: -27.907 tors. eta vs tors. theta energy: -8.327 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: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -412.163011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.163011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.163011 (E_RNA) where: Base-Base interactions energy: -213.316 where: short stacking energy: -124.304 Base-Backbone interact. energy: -0.742 local terms energy: -198.105034 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -54.434 flat angles C4'-P-C4' energy: -52.921 flat angles P-C4'-P energy: -20.449 tors. eta vs tors. theta energy: -14.308 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: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1211.352583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.352583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.352583 (E_RNA) where: Base-Base interactions energy: -864.951 where: short stacking energy: -339.037 Base-Backbone interact. energy: -2.036 local terms energy: -344.365693 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -63.063 flat angles C4'-P-C4' energy: -72.583 flat angles P-C4'-P energy: -51.745 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: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1174.805016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.805016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.805016 (E_RNA) where: Base-Base interactions energy: -825.010 where: short stacking energy: -333.854 Base-Backbone interact. energy: -3.347 local terms energy: -346.447989 where: bonds (distance) C4'-P energy: -58.348 bonds (distance) P-C4' energy: -69.336 flat angles C4'-P-C4' energy: -73.857 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: -94.741 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1089.386504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.386504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.386504 (E_RNA) where: Base-Base interactions energy: -763.415 where: short stacking energy: -297.231 Base-Backbone interact. energy: -1.106 local terms energy: -324.865581 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -63.181 flat angles C4'-P-C4' energy: -58.130 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -93.586 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: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1039.049931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.049931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.049931 (E_RNA) where: Base-Base interactions energy: -694.791 where: short stacking energy: -305.743 Base-Backbone interact. energy: -0.399 local terms energy: -343.859771 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -64.955 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -41.738 tors. eta vs tors. theta energy: -102.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -957.287979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.287979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.287979 (E_RNA) where: Base-Base interactions energy: -646.794 where: short stacking energy: -274.606 Base-Backbone interact. energy: -0.916 local terms energy: -309.578054 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -62.758 flat angles C4'-P-C4' energy: -64.505 flat angles P-C4'-P energy: -44.475 tors. eta vs tors. theta energy: -75.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -899.219252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.219252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.219252 (E_RNA) where: Base-Base interactions energy: -593.990 where: short stacking energy: -257.562 Base-Backbone interact. energy: -0.489 local terms energy: -304.740489 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -62.364 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -72.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -789.216441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.216441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.216441 (E_RNA) where: Base-Base interactions energy: -512.052 where: short stacking energy: -222.256 Base-Backbone interact. energy: 0.288 local terms energy: -277.452097 where: bonds (distance) C4'-P energy: -55.140 bonds (distance) P-C4' energy: -52.088 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -58.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -744.596702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.596702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.596702 (E_RNA) where: Base-Base interactions energy: -497.415 where: short stacking energy: -234.410 Base-Backbone interact. energy: -1.606 local terms energy: -245.575095 where: bonds (distance) C4'-P energy: -51.766 bonds (distance) P-C4' energy: -40.669 flat angles C4'-P-C4' energy: -50.481 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -61.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -416.934861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.934861 (E_RNA) where: Base-Base interactions energy: -191.216 where: short stacking energy: -125.351 Base-Backbone interact. energy: -2.015 local terms energy: -223.703791 where: bonds (distance) C4'-P energy: -55.275 bonds (distance) P-C4' energy: -54.645 flat angles C4'-P-C4' energy: -72.487 flat angles P-C4'-P energy: -24.556 tors. eta vs tors. theta energy: -16.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -386.074036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.074036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.074036 (E_RNA) where: Base-Base interactions energy: -183.269 where: short stacking energy: -112.383 Base-Backbone interact. energy: -0.832 local terms energy: -201.972626 where: bonds (distance) C4'-P energy: -53.953 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -40.368 flat angles P-C4'-P energy: -33.339 tors. eta vs tors. theta energy: -12.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1211.533955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.533955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.533955 (E_RNA) where: Base-Base interactions energy: -848.966 where: short stacking energy: -331.667 Base-Backbone interact. energy: -2.300 local terms energy: -360.268413 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -70.507 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -96.225 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: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1149.022130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.022130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.022130 (E_RNA) where: Base-Base interactions energy: -820.904 where: short stacking energy: -314.701 Base-Backbone interact. energy: -2.216 local terms energy: -325.902240 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -56.310 flat angles C4'-P-C4' energy: -75.461 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -92.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1085.049139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.049139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.049139 (E_RNA) where: Base-Base interactions energy: -740.282 where: short stacking energy: -298.417 Base-Backbone interact. energy: 0.187 local terms energy: -344.954098 where: bonds (distance) C4'-P energy: -72.658 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -68.979 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -94.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1072.898159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.898159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.898159 (E_RNA) where: Base-Base interactions energy: -717.905 where: short stacking energy: -309.221 Base-Backbone interact. energy: -1.445 local terms energy: -353.548998 where: bonds (distance) C4'-P energy: -57.934 bonds (distance) P-C4' energy: -60.135 flat angles C4'-P-C4' energy: -79.032 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -106.120 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -973.128716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.128716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.128716 (E_RNA) where: Base-Base interactions energy: -676.114 where: short stacking energy: -278.698 Base-Backbone interact. energy: 0.496 local terms energy: -297.510014 where: bonds (distance) C4'-P energy: -54.889 bonds (distance) P-C4' energy: -62.693 flat angles C4'-P-C4' energy: -63.027 flat angles P-C4'-P energy: -33.751 tors. eta vs tors. theta energy: -83.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -935.658890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.658890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.658890 (E_RNA) where: Base-Base interactions energy: -642.736 where: short stacking energy: -272.896 Base-Backbone interact. energy: 0.061 local terms energy: -292.984157 where: bonds (distance) C4'-P energy: -41.096 bonds (distance) P-C4' energy: -66.665 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -34.072 tors. eta vs tors. theta energy: -79.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -758.587568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.587568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.587568 (E_RNA) where: Base-Base interactions energy: -476.503 where: short stacking energy: -214.594 Base-Backbone interact. energy: -1.831 local terms energy: -280.253703 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -69.726 flat angles C4'-P-C4' energy: -62.590 flat angles P-C4'-P energy: -33.515 tors. eta vs tors. theta energy: -55.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -754.953737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.953737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.953737 (E_RNA) where: Base-Base interactions energy: -483.121 where: short stacking energy: -213.401 Base-Backbone interact. energy: -2.729 local terms energy: -269.104372 where: bonds (distance) C4'-P energy: -58.563 bonds (distance) P-C4' energy: -54.995 flat angles C4'-P-C4' energy: -61.037 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -51.372 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: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -427.557498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.557498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.557498 (E_RNA) where: Base-Base interactions energy: -225.022 where: short stacking energy: -106.738 Base-Backbone interact. energy: -1.219 local terms energy: -201.317410 where: bonds (distance) C4'-P energy: -53.578 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -50.870 flat angles P-C4'-P energy: -32.678 tors. eta vs tors. theta energy: -6.393 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: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -373.225328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.225328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.225328 (E_RNA) where: Base-Base interactions energy: -173.463 where: short stacking energy: -100.387 Base-Backbone interact. energy: -0.753 local terms energy: -199.010183 where: bonds (distance) C4'-P energy: -48.984 bonds (distance) P-C4' energy: -61.288 flat angles C4'-P-C4' energy: -57.210 flat angles P-C4'-P energy: -32.972 tors. eta vs tors. theta energy: 1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1209.138538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.138538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.138538 (E_RNA) where: Base-Base interactions energy: -870.566 where: short stacking energy: -338.403 Base-Backbone interact. energy: -2.646 local terms energy: -335.927390 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -60.926 flat angles C4'-P-C4' energy: -61.256 flat angles P-C4'-P energy: -55.334 tors. eta vs tors. theta energy: -98.006 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: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1155.301058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.301058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.301058 (E_RNA) where: Base-Base interactions energy: -807.745 where: short stacking energy: -323.864 Base-Backbone interact. energy: -1.933 local terms energy: -345.623257 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -63.480 flat angles C4'-P-C4' energy: -72.614 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -91.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1077.525217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.525217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.525217 (E_RNA) where: Base-Base interactions energy: -758.923 where: short stacking energy: -301.291 Base-Backbone interact. energy: -2.015 local terms energy: -316.587673 where: bonds (distance) C4'-P energy: -57.545 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -39.249 tors. eta vs tors. theta energy: -90.295 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: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1057.166503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.166503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.166503 (E_RNA) where: Base-Base interactions energy: -719.772 where: short stacking energy: -309.098 Base-Backbone interact. energy: -0.853 local terms energy: -336.541516 where: bonds (distance) C4'-P energy: -61.277 bonds (distance) P-C4' energy: -62.503 flat angles C4'-P-C4' energy: -66.333 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -97.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -974.071560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.071560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.071560 (E_RNA) where: Base-Base interactions energy: -671.975 where: short stacking energy: -261.071 Base-Backbone interact. energy: -1.746 local terms energy: -300.349961 where: bonds (distance) C4'-P energy: -59.718 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -38.137 tors. eta vs tors. theta energy: -71.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -932.370387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.370387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.370387 (E_RNA) where: Base-Base interactions energy: -609.353 where: short stacking energy: -263.194 Base-Backbone interact. energy: -1.066 local terms energy: -321.950893 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -65.264 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: -73.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -762.369918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.369918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.369918 (E_RNA) where: Base-Base interactions energy: -504.143 where: short stacking energy: -218.203 Base-Backbone interact. energy: 1.030 local terms energy: -259.256895 where: bonds (distance) C4'-P energy: -66.777 bonds (distance) P-C4' energy: -43.163 flat angles C4'-P-C4' energy: -59.330 flat angles P-C4'-P energy: -38.235 tors. eta vs tors. theta energy: -51.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -778.163065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.163065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.163065 (E_RNA) where: Base-Base interactions energy: -508.021 where: short stacking energy: -228.948 Base-Backbone interact. energy: 0.484 local terms energy: -270.625996 where: bonds (distance) C4'-P energy: -46.875 bonds (distance) P-C4' energy: -50.131 flat angles C4'-P-C4' energy: -59.592 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: -68.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -386.920433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.920433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.920433 (E_RNA) where: Base-Base interactions energy: -196.712 where: short stacking energy: -112.491 Base-Backbone interact. energy: 1.644 local terms energy: -191.852348 where: bonds (distance) C4'-P energy: -54.047 bonds (distance) P-C4' energy: -51.595 flat angles C4'-P-C4' energy: -51.211 flat angles P-C4'-P energy: -35.412 tors. eta vs tors. theta energy: 0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -359.729128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.729128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.729128 (E_RNA) where: Base-Base interactions energy: -173.138 where: short stacking energy: -105.600 Base-Backbone interact. energy: -0.301 local terms energy: -186.290047 where: bonds (distance) C4'-P energy: -54.677 bonds (distance) P-C4' energy: -44.469 flat angles C4'-P-C4' energy: -54.920 flat angles P-C4'-P energy: -29.109 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1215.254249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.254249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.254249 (E_RNA) where: Base-Base interactions energy: -863.228 where: short stacking energy: -340.022 Base-Backbone interact. energy: -0.586 local terms energy: -351.440037 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -65.827 flat angles C4'-P-C4' energy: -76.832 flat angles P-C4'-P energy: -45.335 tors. eta vs tors. theta energy: -99.302 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: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1152.685145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.685145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.685145 (E_RNA) where: Base-Base interactions energy: -809.854 where: short stacking energy: -324.814 Base-Backbone interact. energy: -2.905 local terms energy: -339.925639 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -75.144 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -93.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1078.878688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.878688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.878688 (E_RNA) where: Base-Base interactions energy: -734.265 where: short stacking energy: -304.302 Base-Backbone interact. energy: 1.035 local terms energy: -345.648120 where: bonds (distance) C4'-P energy: -65.522 bonds (distance) P-C4' energy: -63.861 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -90.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1029.856587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.856587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.856587 (E_RNA) where: Base-Base interactions energy: -707.876 where: short stacking energy: -279.878 Base-Backbone interact. energy: -1.972 local terms energy: -320.008728 where: bonds (distance) C4'-P energy: -61.653 bonds (distance) P-C4' energy: -62.200 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -37.762 tors. eta vs tors. theta energy: -85.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -977.473643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.473643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.473643 (E_RNA) where: Base-Base interactions energy: -650.611 where: short stacking energy: -259.015 Base-Backbone interact. energy: -3.200 local terms energy: -323.662707 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -59.023 flat angles C4'-P-C4' energy: -69.031 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -79.813 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: 400 Temperature: 1.150000 Total energy: -873.273460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.273460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.273460 (E_RNA) where: Base-Base interactions energy: -596.129 where: short stacking energy: -236.702 Base-Backbone interact. energy: -1.689 local terms energy: -275.456084 where: bonds (distance) C4'-P energy: -61.211 bonds (distance) P-C4' energy: -52.222 flat angles C4'-P-C4' energy: -72.658 flat angles P-C4'-P energy: -25.231 tors. eta vs tors. theta energy: -64.134 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: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -792.437710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.437710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.437710 (E_RNA) where: Base-Base interactions energy: -512.370 where: short stacking energy: -211.578 Base-Backbone interact. energy: -0.599 local terms energy: -279.467766 where: bonds (distance) C4'-P energy: -60.061 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -61.333 flat angles P-C4'-P energy: -38.783 tors. eta vs tors. theta energy: -53.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -726.897549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.897549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.897549 (E_RNA) where: Base-Base interactions energy: -490.272 where: short stacking energy: -213.968 Base-Backbone interact. energy: 4.331 local terms energy: -240.956970 where: bonds (distance) C4'-P energy: -46.944 bonds (distance) P-C4' energy: -51.720 flat angles C4'-P-C4' energy: -63.190 flat angles P-C4'-P energy: -31.615 tors. eta vs tors. theta energy: -47.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -402.237211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.237211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.237211 (E_RNA) where: Base-Base interactions energy: -186.402 where: short stacking energy: -108.130 Base-Backbone interact. energy: -0.047 local terms energy: -215.789012 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -67.064 flat angles C4'-P-C4' energy: -55.626 flat angles P-C4'-P energy: -24.499 tors. eta vs tors. theta energy: -6.353 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: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -379.288771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.288771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.288771 (E_RNA) where: Base-Base interactions energy: -196.500 where: short stacking energy: -101.591 Base-Backbone interact. energy: 2.492 local terms energy: -185.280682 where: bonds (distance) C4'-P energy: -59.314 bonds (distance) P-C4' energy: -43.747 flat angles C4'-P-C4' energy: -46.716 flat angles P-C4'-P energy: -25.890 tors. eta vs tors. theta energy: -9.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1219.890672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.890672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.890672 (E_RNA) where: Base-Base interactions energy: -878.110 where: short stacking energy: -336.211 Base-Backbone interact. energy: 0.243 local terms energy: -342.023862 where: bonds (distance) C4'-P energy: -63.334 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: -98.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1157.229612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.229612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.229612 (E_RNA) where: Base-Base interactions energy: -822.574 where: short stacking energy: -325.533 Base-Backbone interact. energy: -1.261 local terms energy: -333.394753 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -64.024 flat angles C4'-P-C4' energy: -76.168 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: -102.025 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: 401 Temperature: 1.000000 Total energy: -1107.066859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.066859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.066859 (E_RNA) where: Base-Base interactions energy: -744.711 where: short stacking energy: -325.667 Base-Backbone interact. energy: -2.411 local terms energy: -359.944571 where: bonds (distance) C4'-P energy: -69.011 bonds (distance) P-C4' energy: -69.279 flat angles C4'-P-C4' energy: -71.224 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -105.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1042.356996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.356996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.356996 (E_RNA) where: Base-Base interactions energy: -732.068 where: short stacking energy: -283.692 Base-Backbone interact. energy: -0.719 local terms energy: -309.569769 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -53.627 flat angles C4'-P-C4' energy: -60.438 flat angles P-C4'-P energy: -47.478 tors. eta vs tors. theta energy: -81.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -961.624036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.624036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.624036 (E_RNA) where: Base-Base interactions energy: -661.459 where: short stacking energy: -276.166 Base-Backbone interact. energy: -2.506 local terms energy: -297.659142 where: bonds (distance) C4'-P energy: -58.762 bonds (distance) P-C4' energy: -57.763 flat angles C4'-P-C4' energy: -57.738 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -83.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -892.838110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.838110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.838110 (E_RNA) where: Base-Base interactions energy: -592.929 where: short stacking energy: -258.489 Base-Backbone interact. energy: -4.109 local terms energy: -295.799753 where: bonds (distance) C4'-P energy: -63.343 bonds (distance) P-C4' energy: -57.958 flat angles C4'-P-C4' energy: -59.093 flat angles P-C4'-P energy: -43.459 tors. eta vs tors. theta energy: -71.946 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: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -781.830932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.830932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.830932 (E_RNA) where: Base-Base interactions energy: -515.041 where: short stacking energy: -205.183 Base-Backbone interact. energy: -0.006 local terms energy: -266.784221 where: bonds (distance) C4'-P energy: -47.176 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -60.400 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -50.501 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: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -696.557586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.557586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.557586 (E_RNA) where: Base-Base interactions energy: -472.350 where: short stacking energy: -194.294 Base-Backbone interact. energy: 3.086 local terms energy: -227.293268 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -50.479 flat angles C4'-P-C4' energy: -51.109 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: -28.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -420.020164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.020164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.020164 (E_RNA) where: Base-Base interactions energy: -212.201 where: short stacking energy: -122.565 Base-Backbone interact. energy: -2.116 local terms energy: -205.703527 where: bonds (distance) C4'-P energy: -60.605 bonds (distance) P-C4' energy: -52.509 flat angles C4'-P-C4' energy: -45.942 flat angles P-C4'-P energy: -22.929 tors. eta vs tors. theta energy: -23.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -390.685226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.685226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.685226 (E_RNA) where: Base-Base interactions energy: -199.656 where: short stacking energy: -116.987 Base-Backbone interact. energy: -2.439 local terms energy: -188.590931 where: bonds (distance) C4'-P energy: -54.685 bonds (distance) P-C4' energy: -46.956 flat angles C4'-P-C4' energy: -48.607 flat angles P-C4'-P energy: -34.122 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1217.577884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.577884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.577884 (E_RNA) where: Base-Base interactions energy: -865.629 where: short stacking energy: -315.232 Base-Backbone interact. energy: -2.559 local terms energy: -349.390014 where: bonds (distance) C4'-P energy: -72.249 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -72.758 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -89.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1170.319467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.319467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.319467 (E_RNA) where: Base-Base interactions energy: -826.945 where: short stacking energy: -327.554 Base-Backbone interact. energy: -1.277 local terms energy: -342.098434 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -67.156 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -49.827 tors. eta vs tors. theta energy: -90.386 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: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1089.859029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.859029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.859029 (E_RNA) where: Base-Base interactions energy: -749.713 where: short stacking energy: -330.622 Base-Backbone interact. energy: -0.426 local terms energy: -339.720237 where: bonds (distance) C4'-P energy: -54.332 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -97.139 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: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1046.916493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.916493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.916493 (E_RNA) where: Base-Base interactions energy: -748.936 where: short stacking energy: -286.644 Base-Backbone interact. energy: -2.654 local terms energy: -295.326853 where: bonds (distance) C4'-P energy: -56.608 bonds (distance) P-C4' energy: -59.240 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -39.239 tors. eta vs tors. theta energy: -73.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -942.967402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.967402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.967402 (E_RNA) where: Base-Base interactions energy: -641.277 where: short stacking energy: -256.297 Base-Backbone interact. energy: -2.564 local terms energy: -299.126132 where: bonds (distance) C4'-P energy: -56.955 bonds (distance) P-C4' energy: -65.167 flat angles C4'-P-C4' energy: -63.435 flat angles P-C4'-P energy: -46.009 tors. eta vs tors. theta energy: -67.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -892.329287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.329287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.329287 (E_RNA) where: Base-Base interactions energy: -599.718 where: short stacking energy: -257.394 Base-Backbone interact. energy: 1.263 local terms energy: -293.873591 where: bonds (distance) C4'-P energy: -50.205 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -70.056 flat angles P-C4'-P energy: -45.111 tors. eta vs tors. theta energy: -64.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -753.538977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.538977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.538977 (E_RNA) where: Base-Base interactions energy: -509.238 where: short stacking energy: -231.158 Base-Backbone interact. energy: -1.036 local terms energy: -243.264699 where: bonds (distance) C4'-P energy: -47.525 bonds (distance) P-C4' energy: -61.328 flat angles C4'-P-C4' energy: -42.395 flat angles P-C4'-P energy: -29.460 tors. eta vs tors. theta energy: -62.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -752.055864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.055864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.055864 (E_RNA) where: Base-Base interactions energy: -489.672 where: short stacking energy: -214.723 Base-Backbone interact. energy: 1.724 local terms energy: -264.107709 where: bonds (distance) C4'-P energy: -52.732 bonds (distance) P-C4' energy: -51.390 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -40.447 tors. eta vs tors. theta energy: -51.529 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: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -420.541784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.541784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.541784 (E_RNA) where: Base-Base interactions energy: -234.942 where: short stacking energy: -124.065 Base-Backbone interact. energy: -0.477 local terms energy: -185.123511 where: bonds (distance) C4'-P energy: -49.672 bonds (distance) P-C4' energy: -41.628 flat angles C4'-P-C4' energy: -46.922 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -5.347 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: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -392.665397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.665397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.665397 (E_RNA) where: Base-Base interactions energy: -196.170 where: short stacking energy: -84.802 Base-Backbone interact. energy: -0.764 local terms energy: -195.731760 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -65.425 flat angles C4'-P-C4' energy: -47.966 flat angles P-C4'-P energy: -28.602 tors. eta vs tors. theta energy: 2.540 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: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1227.085359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.085359 (E_RNA) where: Base-Base interactions energy: -875.222 where: short stacking energy: -324.808 Base-Backbone interact. energy: -0.702 local terms energy: -351.161034 where: bonds (distance) C4'-P energy: -63.125 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -75.243 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -95.164 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: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1146.296979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.296979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.296979 (E_RNA) where: Base-Base interactions energy: -804.316 where: short stacking energy: -312.782 Base-Backbone interact. energy: -1.551 local terms energy: -340.430247 where: bonds (distance) C4'-P energy: -59.765 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -75.185 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -93.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1067.307990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.307990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.307990 (E_RNA) where: Base-Base interactions energy: -732.447 where: short stacking energy: -318.762 Base-Backbone interact. energy: -0.040 local terms energy: -334.821793 where: bonds (distance) C4'-P energy: -65.203 bonds (distance) P-C4' energy: -54.512 flat angles C4'-P-C4' energy: -69.878 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1053.099141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.099141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.099141 (E_RNA) where: Base-Base interactions energy: -730.218 where: short stacking energy: -269.436 Base-Backbone interact. energy: -1.388 local terms energy: -321.492802 where: bonds (distance) C4'-P energy: -62.622 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -64.938 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -87.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -968.682750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.682750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.682750 (E_RNA) where: Base-Base interactions energy: -672.020 where: short stacking energy: -277.918 Base-Backbone interact. energy: -1.411 local terms energy: -295.252017 where: bonds (distance) C4'-P energy: -55.867 bonds (distance) P-C4' energy: -61.952 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -41.489 tors. eta vs tors. theta energy: -74.845 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: 6, replica: 6 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -888.607881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.607881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.607881 (E_RNA) where: Base-Base interactions energy: -591.998 where: short stacking energy: -262.248 Base-Backbone interact. energy: 0.205 local terms energy: -296.815319 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -59.747 flat angles C4'-P-C4' energy: -65.224 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: -72.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -762.718177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.718177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.718177 (E_RNA) where: Base-Base interactions energy: -499.099 where: short stacking energy: -206.828 Base-Backbone interact. energy: -1.027 local terms energy: -262.591275 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -63.889 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -36.916 tors. eta vs tors. theta energy: -41.168 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: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -708.552360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.552360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.552360 (E_RNA) where: Base-Base interactions energy: -448.714 where: short stacking energy: -186.887 Base-Backbone interact. energy: -0.919 local terms energy: -258.919011 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -49.300 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -42.865 tors. eta vs tors. theta energy: -39.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -416.615269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.615269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.615269 (E_RNA) where: Base-Base interactions energy: -220.246 where: short stacking energy: -118.458 Base-Backbone interact. energy: 1.752 local terms energy: -198.120853 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -60.203 flat angles C4'-P-C4' energy: -48.744 flat angles P-C4'-P energy: -34.530 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -407.447616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.447616 (E_RNA) where: Base-Base interactions energy: -218.825 where: short stacking energy: -124.788 Base-Backbone interact. energy: -0.685 local terms energy: -187.937713 where: bonds (distance) C4'-P energy: -58.285 bonds (distance) P-C4' energy: -39.614 flat angles C4'-P-C4' energy: -50.756 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -4.679 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: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1168.424606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.424606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.424606 (E_RNA) where: Base-Base interactions energy: -815.470 where: short stacking energy: -313.952 Base-Backbone interact. energy: 2.600 local terms energy: -355.555145 where: bonds (distance) C4'-P energy: -70.834 bonds (distance) P-C4' energy: -67.783 flat angles C4'-P-C4' energy: -72.316 flat angles P-C4'-P energy: -48.515 tors. eta vs tors. theta energy: -96.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1183.848616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.848616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.848616 (E_RNA) where: Base-Base interactions energy: -852.780 where: short stacking energy: -308.177 Base-Backbone interact. energy: -2.514 local terms energy: -328.555185 where: bonds (distance) C4'-P energy: -59.377 bonds (distance) P-C4' energy: -59.751 flat angles C4'-P-C4' energy: -68.917 flat angles P-C4'-P energy: -47.453 tors. eta vs tors. theta energy: -93.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1077.970501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.970501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.970501 (E_RNA) where: Base-Base interactions energy: -735.109 where: short stacking energy: -319.703 Base-Backbone interact. energy: -0.721 local terms energy: -342.140453 where: bonds (distance) C4'-P energy: -59.483 bonds (distance) P-C4' energy: -64.358 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -93.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1042.811243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.811243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.811243 (E_RNA) where: Base-Base interactions energy: -713.371 where: short stacking energy: -277.610 Base-Backbone interact. energy: -0.335 local terms energy: -329.104642 where: bonds (distance) C4'-P energy: -67.566 bonds (distance) P-C4' energy: -56.987 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -87.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -952.917580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.917580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.917580 (E_RNA) where: Base-Base interactions energy: -647.739 where: short stacking energy: -254.834 Base-Backbone interact. energy: 1.012 local terms energy: -306.190686 where: bonds (distance) C4'-P energy: -65.024 bonds (distance) P-C4' energy: -54.572 flat angles C4'-P-C4' energy: -69.431 flat angles P-C4'-P energy: -34.294 tors. eta vs tors. theta energy: -82.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -883.316568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.316568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.316568 (E_RNA) where: Base-Base interactions energy: -601.544 where: short stacking energy: -249.139 Base-Backbone interact. energy: -0.962 local terms energy: -280.809745 where: bonds (distance) C4'-P energy: -51.031 bonds (distance) P-C4' energy: -52.862 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -62.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -760.396871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.396871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.396871 (E_RNA) where: Base-Base interactions energy: -490.989 where: short stacking energy: -226.997 Base-Backbone interact. energy: 0.151 local terms energy: -269.559253 where: bonds (distance) C4'-P energy: -52.161 bonds (distance) P-C4' energy: -52.817 flat angles C4'-P-C4' energy: -59.219 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -59.004 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: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -763.984991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.984991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.984991 (E_RNA) where: Base-Base interactions energy: -503.127 where: short stacking energy: -212.587 Base-Backbone interact. energy: -0.703 local terms energy: -260.154276 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -57.590 flat angles C4'-P-C4' energy: -56.153 flat angles P-C4'-P energy: -39.187 tors. eta vs tors. theta energy: -51.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -444.096410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.096410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.096410 (E_RNA) where: Base-Base interactions energy: -247.747 where: short stacking energy: -131.297 Base-Backbone interact. energy: 0.755 local terms energy: -197.104615 where: bonds (distance) C4'-P energy: -59.492 bonds (distance) P-C4' energy: -47.722 flat angles C4'-P-C4' energy: -32.741 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: -20.789 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: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -392.541086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.541086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.541086 (E_RNA) where: Base-Base interactions energy: -189.944 where: short stacking energy: -99.819 Base-Backbone interact. energy: -2.880 local terms energy: -199.717288 where: bonds (distance) C4'-P energy: -56.782 bonds (distance) P-C4' energy: -62.579 flat angles C4'-P-C4' energy: -47.906 flat angles P-C4'-P energy: -29.169 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1158.060895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.060895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.060895 (E_RNA) where: Base-Base interactions energy: -820.142 where: short stacking energy: -333.618 Base-Backbone interact. energy: -2.759 local terms energy: -335.160366 where: bonds (distance) C4'-P energy: -59.684 bonds (distance) P-C4' energy: -65.228 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -92.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1200.260378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.260378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.260378 (E_RNA) where: Base-Base interactions energy: -867.664 where: short stacking energy: -330.073 Base-Backbone interact. energy: -0.721 local terms energy: -331.875887 where: bonds (distance) C4'-P energy: -57.039 bonds (distance) P-C4' energy: -68.345 flat angles C4'-P-C4' energy: -67.818 flat angles P-C4'-P energy: -49.198 tors. eta vs tors. theta energy: -89.476 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: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1084.394863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.394863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.394863 (E_RNA) where: Base-Base interactions energy: -731.765 where: short stacking energy: -306.056 Base-Backbone interact. energy: 2.855 local terms energy: -355.484888 where: bonds (distance) C4'-P energy: -62.271 bonds (distance) P-C4' energy: -68.843 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -96.279 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: 9 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1022.884137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.884137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.884137 (E_RNA) where: Base-Base interactions energy: -705.951 where: short stacking energy: -290.184 Base-Backbone interact. energy: 1.477 local terms energy: -318.410322 where: bonds (distance) C4'-P energy: -55.294 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -48.981 tors. eta vs tors. theta energy: -83.799 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: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -990.275220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.275220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.275220 (E_RNA) where: Base-Base interactions energy: -718.051 where: short stacking energy: -293.689 Base-Backbone interact. energy: -1.333 local terms energy: -270.890711 where: bonds (distance) C4'-P energy: -46.955 bonds (distance) P-C4' energy: -44.322 flat angles C4'-P-C4' energy: -63.064 flat angles P-C4'-P energy: -34.163 tors. eta vs tors. theta energy: -82.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -885.713480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.713480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.713480 (E_RNA) where: Base-Base interactions energy: -602.547 where: short stacking energy: -238.033 Base-Backbone interact. energy: -0.922 local terms energy: -282.243964 where: bonds (distance) C4'-P energy: -47.771 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -65.021 flat angles P-C4'-P energy: -43.832 tors. eta vs tors. theta energy: -66.986 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: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -744.582504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.582504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.582504 (E_RNA) where: Base-Base interactions energy: -482.061 where: short stacking energy: -196.303 Base-Backbone interact. energy: 0.758 local terms energy: -263.279192 where: bonds (distance) C4'-P energy: -62.220 bonds (distance) P-C4' energy: -59.379 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -39.845 tors. eta vs tors. theta energy: -37.098 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: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -744.206645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.206645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.206645 (E_RNA) where: Base-Base interactions energy: -480.871 where: short stacking energy: -223.056 Base-Backbone interact. energy: -0.418 local terms energy: -262.917423 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -52.566 flat angles C4'-P-C4' energy: -57.520 flat angles P-C4'-P energy: -41.576 tors. eta vs tors. theta energy: -53.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -495.187543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.187543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.187543 (E_RNA) where: Base-Base interactions energy: -289.858 where: short stacking energy: -164.737 Base-Backbone interact. energy: 1.072 local terms energy: -206.400601 where: bonds (distance) C4'-P energy: -48.624 bonds (distance) P-C4' energy: -49.948 flat angles C4'-P-C4' energy: -50.198 flat angles P-C4'-P energy: -32.467 tors. eta vs tors. theta energy: -25.163 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: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -405.036931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.036931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.036931 (E_RNA) where: Base-Base interactions energy: -216.073 where: short stacking energy: -120.636 Base-Backbone interact. energy: -2.578 local terms energy: -186.386112 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -49.576 flat angles C4'-P-C4' energy: -42.341 flat angles P-C4'-P energy: -22.608 tors. eta vs tors. theta energy: -11.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1216.467334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.467334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.467334 (E_RNA) where: Base-Base interactions energy: -858.411 where: short stacking energy: -334.474 Base-Backbone interact. energy: -3.318 local terms energy: -354.738468 where: bonds (distance) C4'-P energy: -64.204 bonds (distance) P-C4' energy: -67.620 flat angles C4'-P-C4' energy: -74.361 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: -95.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1145.929964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.929964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.929964 (E_RNA) where: Base-Base interactions energy: -813.448 where: short stacking energy: -328.510 Base-Backbone interact. energy: 2.705 local terms energy: -335.186579 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -57.418 flat angles C4'-P-C4' energy: -77.152 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: -96.131 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: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1065.183552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.183552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.183552 (E_RNA) where: Base-Base interactions energy: -739.008 where: short stacking energy: -286.146 Base-Backbone interact. energy: -0.110 local terms energy: -326.064917 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -65.969 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -51.655 tors. eta vs tors. theta energy: -87.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1059.040024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.040024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.040024 (E_RNA) where: Base-Base interactions energy: -730.720 where: short stacking energy: -313.190 Base-Backbone interact. energy: -0.375 local terms energy: -327.944785 where: bonds (distance) C4'-P energy: -47.539 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -47.365 tors. eta vs tors. theta energy: -94.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -986.374486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.374486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.374486 (E_RNA) where: Base-Base interactions energy: -682.785 where: short stacking energy: -291.862 Base-Backbone interact. energy: 0.613 local terms energy: -304.202256 where: bonds (distance) C4'-P energy: -51.135 bonds (distance) P-C4' energy: -64.210 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -35.294 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -881.045969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.045969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.045969 (E_RNA) where: Base-Base interactions energy: -576.103 where: short stacking energy: -245.860 Base-Backbone interact. energy: -1.510 local terms energy: -303.432702 where: bonds (distance) C4'-P energy: -62.872 bonds (distance) P-C4' energy: -62.353 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -68.296 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: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -761.138543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.138543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.138543 (E_RNA) where: Base-Base interactions energy: -499.100 where: short stacking energy: -211.416 Base-Backbone interact. energy: 2.013 local terms energy: -264.051567 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -49.274 flat angles C4'-P-C4' energy: -59.264 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -53.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -743.804627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.804627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.804627 (E_RNA) where: Base-Base interactions energy: -491.766 where: short stacking energy: -228.867 Base-Backbone interact. energy: 0.174 local terms energy: -252.212540 where: bonds (distance) C4'-P energy: -42.179 bonds (distance) P-C4' energy: -54.886 flat angles C4'-P-C4' energy: -60.197 flat angles P-C4'-P energy: -37.919 tors. eta vs tors. theta energy: -57.031 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: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -431.823546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.823546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.823546 (E_RNA) where: Base-Base interactions energy: -212.283 where: short stacking energy: -118.423 Base-Backbone interact. energy: -0.279 local terms energy: -219.262400 where: bonds (distance) C4'-P energy: -61.888 bonds (distance) P-C4' energy: -59.214 flat angles C4'-P-C4' energy: -55.337 flat angles P-C4'-P energy: -29.893 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -428.010540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.010540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.010540 (E_RNA) where: Base-Base interactions energy: -232.379 where: short stacking energy: -133.420 Base-Backbone interact. energy: 1.767 local terms energy: -197.397841 where: bonds (distance) C4'-P energy: -51.801 bonds (distance) P-C4' energy: -59.110 flat angles C4'-P-C4' energy: -46.676 flat angles P-C4'-P energy: -32.688 tors. eta vs tors. theta energy: -7.122 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: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1236.943545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.943545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.943545 (E_RNA) where: Base-Base interactions energy: -862.220 where: short stacking energy: -331.051 Base-Backbone interact. energy: 0.241 local terms energy: -374.964481 where: bonds (distance) C4'-P energy: -70.015 bonds (distance) P-C4' energy: -70.326 flat angles C4'-P-C4' energy: -79.357 flat angles P-C4'-P energy: -50.827 tors. eta vs tors. theta energy: -104.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1139.725583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.725583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.725583 (E_RNA) where: Base-Base interactions energy: -796.416 where: short stacking energy: -294.939 Base-Backbone interact. energy: -3.902 local terms energy: -339.407187 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -61.380 flat angles C4'-P-C4' energy: -73.575 flat angles P-C4'-P energy: -55.457 tors. eta vs tors. theta energy: -83.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1100.924866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.924866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.924866 (E_RNA) where: Base-Base interactions energy: -784.726 where: short stacking energy: -308.789 Base-Backbone interact. energy: -1.637 local terms energy: -314.562374 where: bonds (distance) C4'-P energy: -54.278 bonds (distance) P-C4' energy: -54.448 flat angles C4'-P-C4' energy: -72.171 flat angles P-C4'-P energy: -46.704 tors. eta vs tors. theta energy: -86.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1043.629509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.629509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.629509 (E_RNA) where: Base-Base interactions energy: -733.143 where: short stacking energy: -305.911 Base-Backbone interact. energy: 0.168 local terms energy: -310.654746 where: bonds (distance) C4'-P energy: -51.299 bonds (distance) P-C4' energy: -55.750 flat angles C4'-P-C4' energy: -63.305 flat angles P-C4'-P energy: -42.238 tors. eta vs tors. theta energy: -98.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1000.600337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.600337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.600337 (E_RNA) where: Base-Base interactions energy: -679.219 where: short stacking energy: -261.675 Base-Backbone interact. energy: 0.016 local terms energy: -321.397135 where: bonds (distance) C4'-P energy: -52.745 bonds (distance) P-C4' energy: -72.221 flat angles C4'-P-C4' energy: -69.244 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -82.255 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: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -904.029165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.029165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.029165 (E_RNA) where: Base-Base interactions energy: -615.458 where: short stacking energy: -264.326 Base-Backbone interact. energy: -1.650 local terms energy: -286.921779 where: bonds (distance) C4'-P energy: -58.529 bonds (distance) P-C4' energy: -60.227 flat angles C4'-P-C4' energy: -63.013 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -66.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -788.044301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.044301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.044301 (E_RNA) where: Base-Base interactions energy: -518.179 where: short stacking energy: -204.533 Base-Backbone interact. energy: -0.238 local terms energy: -269.627515 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -60.245 flat angles P-C4'-P energy: -36.227 tors. eta vs tors. theta energy: -56.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -742.852901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.852901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.852901 (E_RNA) where: Base-Base interactions energy: -466.239 where: short stacking energy: -204.612 Base-Backbone interact. energy: -1.919 local terms energy: -274.695407 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -52.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -427.227750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.227750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.227750 (E_RNA) where: Base-Base interactions energy: -220.970 where: short stacking energy: -120.200 Base-Backbone interact. energy: 2.168 local terms energy: -208.425324 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -63.737 flat angles P-C4'-P energy: -21.967 tors. eta vs tors. theta energy: -7.897 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: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -366.978193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.978193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.978193 (E_RNA) where: Base-Base interactions energy: -178.656 where: short stacking energy: -103.626 Base-Backbone interact. energy: -0.925 local terms energy: -187.396781 where: bonds (distance) C4'-P energy: -48.947 bonds (distance) P-C4' energy: -59.807 flat angles C4'-P-C4' energy: -48.961 flat angles P-C4'-P energy: -28.629 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1214.327313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.327313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.327313 (E_RNA) where: Base-Base interactions energy: -864.820 where: short stacking energy: -330.789 Base-Backbone interact. energy: -2.864 local terms energy: -346.643709 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: -100.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1144.577192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.577192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.577192 (E_RNA) where: Base-Base interactions energy: -803.024 where: short stacking energy: -328.621 Base-Backbone interact. energy: -1.199 local terms energy: -340.354832 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -73.817 flat angles P-C4'-P energy: -55.142 tors. eta vs tors. theta energy: -92.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1093.058645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.058645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.058645 (E_RNA) where: Base-Base interactions energy: -740.552 where: short stacking energy: -327.755 Base-Backbone interact. energy: 0.394 local terms energy: -352.900445 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -96.494 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: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1019.478443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.478443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.478443 (E_RNA) where: Base-Base interactions energy: -708.555 where: short stacking energy: -280.704 Base-Backbone interact. energy: -1.902 local terms energy: -309.021447 where: bonds (distance) C4'-P energy: -60.710 bonds (distance) P-C4' energy: -69.646 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -37.499 tors. eta vs tors. theta energy: -72.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1043.667111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.667111 (E_RNA) where: Base-Base interactions energy: -735.119 where: short stacking energy: -288.564 Base-Backbone interact. energy: -1.871 local terms energy: -306.676718 where: bonds (distance) C4'-P energy: -49.930 bonds (distance) P-C4' energy: -58.552 flat angles C4'-P-C4' energy: -59.766 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: -91.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -898.472269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.472269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.472269 (E_RNA) where: Base-Base interactions energy: -606.866 where: short stacking energy: -252.010 Base-Backbone interact. energy: -1.075 local terms energy: -290.530552 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -50.847 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -69.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -816.810238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.810238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.810238 (E_RNA) where: Base-Base interactions energy: -569.785 where: short stacking energy: -245.547 Base-Backbone interact. energy: 0.978 local terms energy: -248.003463 where: bonds (distance) C4'-P energy: -44.418 bonds (distance) P-C4' energy: -45.548 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: -60.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -744.997753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.997753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.997753 (E_RNA) where: Base-Base interactions energy: -481.654 where: short stacking energy: -208.485 Base-Backbone interact. energy: -0.455 local terms energy: -262.887852 where: bonds (distance) C4'-P energy: -54.135 bonds (distance) P-C4' energy: -47.867 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -37.896 tors. eta vs tors. theta energy: -60.511 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: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -430.647546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.647546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.647546 (E_RNA) where: Base-Base interactions energy: -232.469 where: short stacking energy: -133.405 Base-Backbone interact. energy: -1.933 local terms energy: -196.245753 where: bonds (distance) C4'-P energy: -46.211 bonds (distance) P-C4' energy: -59.152 flat angles C4'-P-C4' energy: -43.837 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -14.440 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: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -410.949134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.949134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.949134 (E_RNA) where: Base-Base interactions energy: -214.896 where: short stacking energy: -91.283 Base-Backbone interact. energy: -1.646 local terms energy: -194.407825 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -57.923 flat angles C4'-P-C4' energy: -52.760 flat angles P-C4'-P energy: -26.670 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1213.071054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.071054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.071054 (E_RNA) where: Base-Base interactions energy: -871.825 where: short stacking energy: -327.801 Base-Backbone interact. energy: -1.523 local terms energy: -339.722708 where: bonds (distance) C4'-P energy: -56.944 bonds (distance) P-C4' energy: -61.004 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -53.774 tors. eta vs tors. theta energy: -95.900 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: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1157.176844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.176844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.176844 (E_RNA) where: Base-Base interactions energy: -816.314 where: short stacking energy: -313.617 Base-Backbone interact. energy: 2.203 local terms energy: -343.066511 where: bonds (distance) C4'-P energy: -66.924 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -97.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1082.825850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.825850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.825850 (E_RNA) where: Base-Base interactions energy: -747.831 where: short stacking energy: -328.180 Base-Backbone interact. energy: -0.269 local terms energy: -334.726068 where: bonds (distance) C4'-P energy: -52.142 bonds (distance) P-C4' energy: -61.450 flat angles C4'-P-C4' energy: -72.211 flat angles P-C4'-P energy: -54.302 tors. eta vs tors. theta energy: -94.621 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: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1056.779936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.779936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.779936 (E_RNA) where: Base-Base interactions energy: -731.517 where: short stacking energy: -306.462 Base-Backbone interact. energy: -0.890 local terms energy: -324.372949 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -67.860 flat angles C4'-P-C4' energy: -66.643 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -90.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1035.983164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.983164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.983164 (E_RNA) where: Base-Base interactions energy: -727.412 where: short stacking energy: -285.214 Base-Backbone interact. energy: -1.093 local terms energy: -307.478786 where: bonds (distance) C4'-P energy: -64.068 bonds (distance) P-C4' energy: -61.923 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -38.782 tors. eta vs tors. theta energy: -73.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -859.658899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.658899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.658899 (E_RNA) where: Base-Base interactions energy: -558.440 where: short stacking energy: -256.538 Base-Backbone interact. energy: -1.073 local terms energy: -300.145492 where: bonds (distance) C4'-P energy: -46.019 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -68.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -847.748936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.748936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.748936 (E_RNA) where: Base-Base interactions energy: -581.027 where: short stacking energy: -242.727 Base-Backbone interact. energy: -0.635 local terms energy: -266.087451 where: bonds (distance) C4'-P energy: -49.015 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -50.085 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -66.584 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: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -758.112865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.112865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.112865 (E_RNA) where: Base-Base interactions energy: -497.067 where: short stacking energy: -228.465 Base-Backbone interact. energy: 1.282 local terms energy: -262.327842 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -51.320 flat angles C4'-P-C4' energy: -62.170 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -56.220 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: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -463.357203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.357203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.357203 (E_RNA) where: Base-Base interactions energy: -266.651 where: short stacking energy: -137.563 Base-Backbone interact. energy: -0.669 local terms energy: -196.036745 where: bonds (distance) C4'-P energy: -36.720 bonds (distance) P-C4' energy: -56.288 flat angles C4'-P-C4' energy: -45.548 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -19.735 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: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -392.722833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.722833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.722833 (E_RNA) where: Base-Base interactions energy: -197.462 where: short stacking energy: -128.794 Base-Backbone interact. energy: -2.796 local terms energy: -192.464948 where: bonds (distance) C4'-P energy: -55.637 bonds (distance) P-C4' energy: -46.634 flat angles C4'-P-C4' energy: -47.012 flat angles P-C4'-P energy: -24.221 tors. eta vs tors. theta energy: -18.960 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1200.683548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.683548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.683548 (E_RNA) where: Base-Base interactions energy: -844.828 where: short stacking energy: -327.446 Base-Backbone interact. energy: -1.314 local terms energy: -354.541797 where: bonds (distance) C4'-P energy: -66.850 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -79.401 flat angles P-C4'-P energy: -42.918 tors. eta vs tors. theta energy: -99.576 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: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1144.571431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.571431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.571431 (E_RNA) where: Base-Base interactions energy: -814.950 where: short stacking energy: -315.913 Base-Backbone interact. energy: -1.238 local terms energy: -328.383712 where: bonds (distance) C4'-P energy: -62.644 bonds (distance) P-C4' energy: -53.378 flat angles C4'-P-C4' energy: -72.226 flat angles P-C4'-P energy: -51.300 tors. eta vs tors. theta energy: -88.836 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: 3, replica: 5 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1087.013766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.013766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.013766 (E_RNA) where: Base-Base interactions energy: -741.016 where: short stacking energy: -316.779 Base-Backbone interact. energy: -0.691 local terms energy: -345.306756 where: bonds (distance) C4'-P energy: -66.838 bonds (distance) P-C4' energy: -58.823 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -95.807 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: 410 Temperature: 1.050000 Total energy: -1058.288956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.288956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.288956 (E_RNA) where: Base-Base interactions energy: -728.274 where: short stacking energy: -304.017 Base-Backbone interact. energy: -2.457 local terms energy: -327.557392 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -65.385 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -90.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1012.532870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.532870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.532870 (E_RNA) where: Base-Base interactions energy: -708.926 where: short stacking energy: -272.162 Base-Backbone interact. energy: -2.130 local terms energy: -301.476185 where: bonds (distance) C4'-P energy: -62.027 bonds (distance) P-C4' energy: -56.370 flat angles C4'-P-C4' energy: -68.464 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -70.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -858.280914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.280914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.280914 (E_RNA) where: Base-Base interactions energy: -569.256 where: short stacking energy: -241.126 Base-Backbone interact. energy: -1.116 local terms energy: -287.908490 where: bonds (distance) C4'-P energy: -58.212 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -59.821 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -65.761 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: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -858.048710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.048710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.048710 (E_RNA) where: Base-Base interactions energy: -573.189 where: short stacking energy: -239.433 Base-Backbone interact. energy: -1.823 local terms energy: -283.037072 where: bonds (distance) C4'-P energy: -52.165 bonds (distance) P-C4' energy: -54.990 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -71.808 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: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -728.463969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.463969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.463969 (E_RNA) where: Base-Base interactions energy: -483.228 where: short stacking energy: -211.723 Base-Backbone interact. energy: -0.560 local terms energy: -244.676421 where: bonds (distance) C4'-P energy: -53.685 bonds (distance) P-C4' energy: -49.154 flat angles C4'-P-C4' energy: -52.083 flat angles P-C4'-P energy: -48.615 tors. eta vs tors. theta energy: -41.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -424.644697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.644697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.644697 (E_RNA) where: Base-Base interactions energy: -211.504 where: short stacking energy: -113.278 Base-Backbone interact. energy: 0.223 local terms energy: -213.364410 where: bonds (distance) C4'-P energy: -54.832 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -50.150 flat angles P-C4'-P energy: -30.076 tors. eta vs tors. theta energy: -15.004 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: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -388.007712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.007712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.007712 (E_RNA) where: Base-Base interactions energy: -206.114 where: short stacking energy: -124.083 Base-Backbone interact. energy: -1.638 local terms energy: -180.255636 where: bonds (distance) C4'-P energy: -44.599 bonds (distance) P-C4' energy: -54.578 flat angles C4'-P-C4' energy: -46.172 flat angles P-C4'-P energy: -31.918 tors. eta vs tors. theta energy: -2.989 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1229.656447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.656447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.656447 (E_RNA) where: Base-Base interactions energy: -876.909 where: short stacking energy: -338.047 Base-Backbone interact. energy: -2.599 local terms energy: -350.148322 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -62.979 flat angles P-C4'-P energy: -42.072 tors. eta vs tors. theta energy: -106.882 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1149.667291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.667291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.667291 (E_RNA) where: Base-Base interactions energy: -807.497 where: short stacking energy: -314.698 Base-Backbone interact. energy: -1.573 local terms energy: -340.596900 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -58.256 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -52.945 tors. eta vs tors. theta energy: -88.779 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: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1106.606371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.606371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.606371 (E_RNA) where: Base-Base interactions energy: -786.176 where: short stacking energy: -335.063 Base-Backbone interact. energy: 1.130 local terms energy: -321.559724 where: bonds (distance) C4'-P energy: -60.967 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -98.258 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: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1043.537094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.537094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.537094 (E_RNA) where: Base-Base interactions energy: -728.199 where: short stacking energy: -294.047 Base-Backbone interact. energy: -0.338 local terms energy: -315.000483 where: bonds (distance) C4'-P energy: -55.490 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -36.956 tors. eta vs tors. theta energy: -88.830 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: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1004.588759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.588759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.588759 (E_RNA) where: Base-Base interactions energy: -721.697 where: short stacking energy: -265.015 Base-Backbone interact. energy: -0.997 local terms energy: -281.894242 where: bonds (distance) C4'-P energy: -55.092 bonds (distance) P-C4' energy: -61.036 flat angles C4'-P-C4' energy: -46.738 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -72.249 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: 6, replica: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -839.444941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.444941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.444941 (E_RNA) where: Base-Base interactions energy: -567.440 where: short stacking energy: -242.769 Base-Backbone interact. energy: -0.483 local terms energy: -271.521230 where: bonds (distance) C4'-P energy: -55.661 bonds (distance) P-C4' energy: -56.927 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -35.001 tors. eta vs tors. theta energy: -64.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -861.123073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.123073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.123073 (E_RNA) where: Base-Base interactions energy: -584.746 where: short stacking energy: -237.281 Base-Backbone interact. energy: -1.422 local terms energy: -274.955562 where: bonds (distance) C4'-P energy: -55.607 bonds (distance) P-C4' energy: -48.651 flat angles C4'-P-C4' energy: -63.913 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -68.749 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: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -713.820395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.820395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.820395 (E_RNA) where: Base-Base interactions energy: -458.782 where: short stacking energy: -201.486 Base-Backbone interact. energy: -1.349 local terms energy: -253.689465 where: bonds (distance) C4'-P energy: -58.155 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -56.567 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -38.740 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: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -419.253456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.253456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.253456 (E_RNA) where: Base-Base interactions energy: -224.019 where: short stacking energy: -122.765 Base-Backbone interact. energy: -0.790 local terms energy: -194.443817 where: bonds (distance) C4'-P energy: -53.893 bonds (distance) P-C4' energy: -41.959 flat angles C4'-P-C4' energy: -50.772 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -18.472 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: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -402.586769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.586769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.586769 (E_RNA) where: Base-Base interactions energy: -218.563 where: short stacking energy: -98.415 Base-Backbone interact. energy: 1.485 local terms energy: -185.509248 where: bonds (distance) C4'-P energy: -51.036 bonds (distance) P-C4' energy: -65.716 flat angles C4'-P-C4' energy: -45.047 flat angles P-C4'-P energy: -18.092 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1228.433598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.433598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.433598 (E_RNA) where: Base-Base interactions energy: -861.485 where: short stacking energy: -337.429 Base-Backbone interact. energy: 1.427 local terms energy: -368.375706 where: bonds (distance) C4'-P energy: -68.036 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -50.978 tors. eta vs tors. theta energy: -100.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1161.265917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.265917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.265917 (E_RNA) where: Base-Base interactions energy: -818.775 where: short stacking energy: -328.343 Base-Backbone interact. energy: -3.178 local terms energy: -339.313074 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -60.340 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1092.552264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.552264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.552264 (E_RNA) where: Base-Base interactions energy: -755.483 where: short stacking energy: -303.451 Base-Backbone interact. energy: -2.172 local terms energy: -334.897191 where: bonds (distance) C4'-P energy: -52.857 bonds (distance) P-C4' energy: -77.539 flat angles C4'-P-C4' energy: -75.465 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -86.037 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: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1070.138338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.138338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.138338 (E_RNA) where: Base-Base interactions energy: -735.757 where: short stacking energy: -308.170 Base-Backbone interact. energy: 0.473 local terms energy: -334.853628 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -69.856 flat angles C4'-P-C4' energy: -64.071 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -94.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -997.470600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.470600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.470600 (E_RNA) where: Base-Base interactions energy: -704.049 where: short stacking energy: -268.491 Base-Backbone interact. energy: -0.594 local terms energy: -292.827093 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -52.663 flat angles C4'-P-C4' energy: -61.636 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: -79.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -859.240104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.240104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.240104 (E_RNA) where: Base-Base interactions energy: -584.684 where: short stacking energy: -248.025 Base-Backbone interact. energy: -0.788 local terms energy: -273.768322 where: bonds (distance) C4'-P energy: -45.975 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -62.021 flat angles P-C4'-P energy: -32.117 tors. eta vs tors. theta energy: -68.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -880.306673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.306673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.306673 (E_RNA) where: Base-Base interactions energy: -621.008 where: short stacking energy: -273.381 Base-Backbone interact. energy: 1.591 local terms energy: -260.889657 where: bonds (distance) C4'-P energy: -52.630 bonds (distance) P-C4' energy: -43.699 flat angles C4'-P-C4' energy: -58.330 flat angles P-C4'-P energy: -36.377 tors. eta vs tors. theta energy: -69.853 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: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -753.762283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.762283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.762283 (E_RNA) where: Base-Base interactions energy: -492.547 where: short stacking energy: -217.811 Base-Backbone interact. energy: -1.767 local terms energy: -259.449039 where: bonds (distance) C4'-P energy: -51.824 bonds (distance) P-C4' energy: -59.400 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -52.448 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: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -392.060031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.060031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.060031 (E_RNA) where: Base-Base interactions energy: -191.670 where: short stacking energy: -88.657 Base-Backbone interact. energy: 3.001 local terms energy: -203.391174 where: bonds (distance) C4'-P energy: -48.002 bonds (distance) P-C4' energy: -56.456 flat angles C4'-P-C4' energy: -53.399 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -404.127787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.127787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.127787 (E_RNA) where: Base-Base interactions energy: -205.644 where: short stacking energy: -103.226 Base-Backbone interact. energy: -0.850 local terms energy: -197.633658 where: bonds (distance) C4'-P energy: -53.273 bonds (distance) P-C4' energy: -61.345 flat angles C4'-P-C4' energy: -48.286 flat angles P-C4'-P energy: -38.119 tors. eta vs tors. theta energy: 3.388 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: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1230.436026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.436026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.436026 (E_RNA) where: Base-Base interactions energy: -875.620 where: short stacking energy: -344.285 Base-Backbone interact. energy: 0.422 local terms energy: -355.237423 where: bonds (distance) C4'-P energy: -69.195 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -69.308 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -106.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1177.759950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.759950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.759950 (E_RNA) where: Base-Base interactions energy: -828.229 where: short stacking energy: -339.712 Base-Backbone interact. energy: -2.313 local terms energy: -347.217507 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -67.315 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -93.832 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: 413 Temperature: 1.000000 Total energy: -1100.093807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.093807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.093807 (E_RNA) where: Base-Base interactions energy: -764.004 where: short stacking energy: -309.970 Base-Backbone interact. energy: -1.984 local terms energy: -334.105287 where: bonds (distance) C4'-P energy: -69.008 bonds (distance) P-C4' energy: -69.990 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -30.428 tors. eta vs tors. theta energy: -83.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1068.144876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.144876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.144876 (E_RNA) where: Base-Base interactions energy: -720.079 where: short stacking energy: -310.671 Base-Backbone interact. energy: -0.664 local terms energy: -347.401300 where: bonds (distance) C4'-P energy: -62.743 bonds (distance) P-C4' energy: -65.973 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -96.937 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: 5, replica: 9 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1011.678570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.678570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.678570 (E_RNA) where: Base-Base interactions energy: -706.799 where: short stacking energy: -271.969 Base-Backbone interact. energy: -1.136 local terms energy: -303.744183 where: bonds (distance) C4'-P energy: -56.604 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -60.349 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -82.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -914.802315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.802315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.802315 (E_RNA) where: Base-Base interactions energy: -612.888 where: short stacking energy: -277.635 Base-Backbone interact. energy: -1.511 local terms energy: -300.402966 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -61.544 flat angles P-C4'-P energy: -32.019 tors. eta vs tors. theta energy: -85.520 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: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -873.826414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.826414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.826414 (E_RNA) where: Base-Base interactions energy: -587.937 where: short stacking energy: -242.815 Base-Backbone interact. energy: -1.539 local terms energy: -284.349608 where: bonds (distance) C4'-P energy: -59.303 bonds (distance) P-C4' energy: -66.085 flat angles C4'-P-C4' energy: -52.514 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -68.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -704.745438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.745438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.745438 (E_RNA) where: Base-Base interactions energy: -473.602 where: short stacking energy: -207.983 Base-Backbone interact. energy: 0.670 local terms energy: -231.812754 where: bonds (distance) C4'-P energy: -48.401 bonds (distance) P-C4' energy: -52.837 flat angles C4'-P-C4' energy: -50.607 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: -46.649 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: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -393.913214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.913214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.913214 (E_RNA) where: Base-Base interactions energy: -204.872 where: short stacking energy: -116.670 Base-Backbone interact. energy: 3.362 local terms energy: -192.403485 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -54.299 flat angles C4'-P-C4' energy: -39.738 flat angles P-C4'-P energy: -24.239 tors. eta vs tors. theta energy: -14.547 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: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -385.098213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.098213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.098213 (E_RNA) where: Base-Base interactions energy: -191.334 where: short stacking energy: -110.615 Base-Backbone interact. energy: -1.320 local terms energy: -192.443920 where: bonds (distance) C4'-P energy: -42.476 bonds (distance) P-C4' energy: -55.354 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -32.841 tors. eta vs tors. theta energy: -2.111 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: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1221.783991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.783991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.783991 (E_RNA) where: Base-Base interactions energy: -883.789 where: short stacking energy: -339.612 Base-Backbone interact. energy: -3.344 local terms energy: -334.650302 where: bonds (distance) C4'-P energy: -53.177 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -71.394 flat angles P-C4'-P energy: -45.168 tors. eta vs tors. theta energy: -99.971 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: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1158.077026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.077026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.077026 (E_RNA) where: Base-Base interactions energy: -828.272 where: short stacking energy: -318.775 Base-Backbone interact. energy: -2.123 local terms energy: -327.681983 where: bonds (distance) C4'-P energy: -67.454 bonds (distance) P-C4' energy: -54.795 flat angles C4'-P-C4' energy: -73.779 flat angles P-C4'-P energy: -31.270 tors. eta vs tors. theta energy: -100.384 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: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1101.982541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.982541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.982541 (E_RNA) where: Base-Base interactions energy: -768.730 where: short stacking energy: -311.499 Base-Backbone interact. energy: 0.396 local terms energy: -333.648956 where: bonds (distance) C4'-P energy: -52.437 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -73.796 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: -99.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1071.837585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.837585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.837585 (E_RNA) where: Base-Base interactions energy: -732.220 where: short stacking energy: -315.449 Base-Backbone interact. energy: 0.981 local terms energy: -340.598414 where: bonds (distance) C4'-P energy: -56.620 bonds (distance) P-C4' energy: -66.954 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -49.264 tors. eta vs tors. theta energy: -101.583 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: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -983.538518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.538518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.538518 (E_RNA) where: Base-Base interactions energy: -679.441 where: short stacking energy: -258.289 Base-Backbone interact. energy: 0.089 local terms energy: -304.186423 where: bonds (distance) C4'-P energy: -52.375 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -69.838 flat angles P-C4'-P energy: -42.644 tors. eta vs tors. theta energy: -80.211 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: 414 Temperature: 1.150000 Total energy: -901.072236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.072236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.072236 (E_RNA) where: Base-Base interactions energy: -615.606 where: short stacking energy: -277.190 Base-Backbone interact. energy: -1.162 local terms energy: -284.303998 where: bonds (distance) C4'-P energy: -39.916 bonds (distance) P-C4' energy: -56.810 flat angles C4'-P-C4' energy: -59.261 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -84.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -868.438261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.438261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.438261 (E_RNA) where: Base-Base interactions energy: -584.466 where: short stacking energy: -243.882 Base-Backbone interact. energy: -1.176 local terms energy: -282.796299 where: bonds (distance) C4'-P energy: -56.269 bonds (distance) P-C4' energy: -66.296 flat angles C4'-P-C4' energy: -50.471 flat angles P-C4'-P energy: -41.193 tors. eta vs tors. theta energy: -68.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -725.515425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.515425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.515425 (E_RNA) where: Base-Base interactions energy: -466.241 where: short stacking energy: -218.400 Base-Backbone interact. energy: 1.670 local terms energy: -260.944143 where: bonds (distance) C4'-P energy: -54.774 bonds (distance) P-C4' energy: -58.362 flat angles C4'-P-C4' energy: -61.468 flat angles P-C4'-P energy: -39.845 tors. eta vs tors. theta energy: -46.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -418.429227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.429227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.429227 (E_RNA) where: Base-Base interactions energy: -199.116 where: short stacking energy: -114.343 Base-Backbone interact. energy: -1.495 local terms energy: -217.817625 where: bonds (distance) C4'-P energy: -58.730 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -50.892 flat angles P-C4'-P energy: -39.842 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -376.244918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.244918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.244918 (E_RNA) where: Base-Base interactions energy: -186.270 where: short stacking energy: -96.301 Base-Backbone interact. energy: -1.130 local terms energy: -188.844806 where: bonds (distance) C4'-P energy: -45.406 bonds (distance) P-C4' energy: -53.245 flat angles C4'-P-C4' energy: -45.818 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1223.217863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.217863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.217863 (E_RNA) where: Base-Base interactions energy: -869.908 where: short stacking energy: -337.510 Base-Backbone interact. energy: -1.372 local terms energy: -351.938032 where: bonds (distance) C4'-P energy: -69.629 bonds (distance) P-C4' energy: -67.078 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -41.350 tors. eta vs tors. theta energy: -101.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1169.350616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.350616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.350616 (E_RNA) where: Base-Base interactions energy: -823.009 where: short stacking energy: -328.905 Base-Backbone interact. energy: -2.060 local terms energy: -344.281525 where: bonds (distance) C4'-P energy: -65.360 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -92.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1090.405311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.405311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.405311 (E_RNA) where: Base-Base interactions energy: -755.779 where: short stacking energy: -317.531 Base-Backbone interact. energy: -1.119 local terms energy: -333.507436 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -60.783 flat angles C4'-P-C4' energy: -70.737 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -96.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1060.795226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.795226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.795226 (E_RNA) where: Base-Base interactions energy: -732.079 where: short stacking energy: -324.117 Base-Backbone interact. energy: 0.346 local terms energy: -329.061992 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -66.535 flat angles P-C4'-P energy: -43.661 tors. eta vs tors. theta energy: -93.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -952.328007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.328007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.328007 (E_RNA) where: Base-Base interactions energy: -649.357 where: short stacking energy: -267.584 Base-Backbone interact. energy: -0.342 local terms energy: -302.628957 where: bonds (distance) C4'-P energy: -54.620 bonds (distance) P-C4' energy: -56.791 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -52.614 tors. eta vs tors. theta energy: -73.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -925.496010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.496010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.496010 (E_RNA) where: Base-Base interactions energy: -619.771 where: short stacking energy: -271.295 Base-Backbone interact. energy: 1.371 local terms energy: -307.096243 where: bonds (distance) C4'-P energy: -54.928 bonds (distance) P-C4' energy: -55.297 flat angles C4'-P-C4' energy: -72.607 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -72.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -872.911074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.911074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.911074 (E_RNA) where: Base-Base interactions energy: -606.507 where: short stacking energy: -243.964 Base-Backbone interact. energy: 3.265 local terms energy: -269.668869 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -31.059 tors. eta vs tors. theta energy: -65.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -723.275523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.275523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.275523 (E_RNA) where: Base-Base interactions energy: -460.766 where: short stacking energy: -199.666 Base-Backbone interact. energy: -0.822 local terms energy: -261.688400 where: bonds (distance) C4'-P energy: -50.154 bonds (distance) P-C4' energy: -55.098 flat angles C4'-P-C4' energy: -65.652 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -47.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -418.404394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.404394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.404394 (E_RNA) where: Base-Base interactions energy: -203.407 where: short stacking energy: -122.036 Base-Backbone interact. energy: -0.006 local terms energy: -214.990613 where: bonds (distance) C4'-P energy: -45.190 bonds (distance) P-C4' energy: -61.811 flat angles C4'-P-C4' energy: -59.643 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: -6.615 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: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -373.167829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.167829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.167829 (E_RNA) where: Base-Base interactions energy: -201.572 where: short stacking energy: -117.173 Base-Backbone interact. energy: 0.812 local terms energy: -172.407472 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -54.743 flat angles C4'-P-C4' energy: -36.010 flat angles P-C4'-P energy: -24.773 tors. eta vs tors. theta energy: 2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1230.492478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.492478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.492478 (E_RNA) where: Base-Base interactions energy: -874.839 where: short stacking energy: -347.357 Base-Backbone interact. energy: -3.206 local terms energy: -352.448304 where: bonds (distance) C4'-P energy: -69.611 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -106.472 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: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1181.587582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.587582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.587582 (E_RNA) where: Base-Base interactions energy: -833.607 where: short stacking energy: -338.847 Base-Backbone interact. energy: -0.713 local terms energy: -347.266734 where: bonds (distance) C4'-P energy: -64.852 bonds (distance) P-C4' energy: -69.279 flat angles C4'-P-C4' energy: -71.808 flat angles P-C4'-P energy: -48.739 tors. eta vs tors. theta energy: -92.588 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: 416 Temperature: 1.000000 Total energy: -1080.557144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.557144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.557144 (E_RNA) where: Base-Base interactions energy: -742.174 where: short stacking energy: -311.298 Base-Backbone interact. energy: -1.978 local terms energy: -336.405638 where: bonds (distance) C4'-P energy: -68.875 bonds (distance) P-C4' energy: -54.496 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -91.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1071.207088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.207088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.207088 (E_RNA) where: Base-Base interactions energy: -747.387 where: short stacking energy: -329.236 Base-Backbone interact. energy: 0.024 local terms energy: -323.844592 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -51.625 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -102.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -997.294524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.294524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.294524 (E_RNA) where: Base-Base interactions energy: -711.403 where: short stacking energy: -275.669 Base-Backbone interact. energy: -0.749 local terms energy: -285.142835 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -53.778 flat angles C4'-P-C4' energy: -63.455 flat angles P-C4'-P energy: -34.142 tors. eta vs tors. theta energy: -78.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -874.662688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.662688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.662688 (E_RNA) where: Base-Base interactions energy: -583.359 where: short stacking energy: -237.370 Base-Backbone interact. energy: -0.882 local terms energy: -290.421088 where: bonds (distance) C4'-P energy: -63.567 bonds (distance) P-C4' energy: -62.450 flat angles C4'-P-C4' energy: -72.948 flat angles P-C4'-P energy: -34.751 tors. eta vs tors. theta energy: -56.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -839.589058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.589058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.589058 (E_RNA) where: Base-Base interactions energy: -548.398 where: short stacking energy: -230.375 Base-Backbone interact. energy: -0.513 local terms energy: -290.677900 where: bonds (distance) C4'-P energy: -64.454 bonds (distance) P-C4' energy: -54.723 flat angles C4'-P-C4' energy: -64.198 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -68.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -733.694084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.694084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.694084 (E_RNA) where: Base-Base interactions energy: -480.089 where: short stacking energy: -216.088 Base-Backbone interact. energy: -2.274 local terms energy: -251.331702 where: bonds (distance) C4'-P energy: -60.047 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -59.074 flat angles P-C4'-P energy: -25.084 tors. eta vs tors. theta energy: -54.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -390.315162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.315162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.315162 (E_RNA) where: Base-Base interactions energy: -207.448 where: short stacking energy: -134.804 Base-Backbone interact. energy: 5.063 local terms energy: -187.930116 where: bonds (distance) C4'-P energy: -56.804 bonds (distance) P-C4' energy: -64.732 flat angles C4'-P-C4' energy: -37.041 flat angles P-C4'-P energy: -21.673 tors. eta vs tors. theta energy: -7.680 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: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -366.017746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.017746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.017746 (E_RNA) where: Base-Base interactions energy: -177.685 where: short stacking energy: -106.395 Base-Backbone interact. energy: 4.095 local terms energy: -192.428209 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -62.612 flat angles C4'-P-C4' energy: -53.360 flat angles P-C4'-P energy: -23.563 tors. eta vs tors. theta energy: 0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1234.318716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.318716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.318716 (E_RNA) where: Base-Base interactions energy: -872.112 where: short stacking energy: -341.615 Base-Backbone interact. energy: 1.792 local terms energy: -363.998640 where: bonds (distance) C4'-P energy: -68.651 bonds (distance) P-C4' energy: -66.477 flat angles C4'-P-C4' energy: -77.250 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -104.950 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1169.891343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.891343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.891343 (E_RNA) where: Base-Base interactions energy: -827.309 where: short stacking energy: -341.510 Base-Backbone interact. energy: 7.311 local terms energy: -349.893647 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -66.376 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -97.454 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: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1096.744981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.744981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.744981 (E_RNA) where: Base-Base interactions energy: -748.835 where: short stacking energy: -309.193 Base-Backbone interact. energy: -2.231 local terms energy: -345.678871 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -62.444 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: -92.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1074.406936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.406936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.406936 (E_RNA) where: Base-Base interactions energy: -744.619 where: short stacking energy: -320.750 Base-Backbone interact. energy: 0.232 local terms energy: -330.020709 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -47.561 flat angles C4'-P-C4' energy: -67.359 flat angles P-C4'-P energy: -50.538 tors. eta vs tors. theta energy: -102.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1011.860189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.860189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.860189 (E_RNA) where: Base-Base interactions energy: -702.778 where: short stacking energy: -280.213 Base-Backbone interact. energy: -0.073 local terms energy: -309.009204 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -61.568 flat angles C4'-P-C4' energy: -64.067 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -78.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -857.588967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.588967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.588967 (E_RNA) where: Base-Base interactions energy: -577.928 where: short stacking energy: -241.505 Base-Backbone interact. energy: -0.826 local terms energy: -278.835079 where: bonds (distance) C4'-P energy: -67.650 bonds (distance) P-C4' energy: -46.159 flat angles C4'-P-C4' energy: -63.973 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -61.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -844.571063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.571063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.571063 (E_RNA) where: Base-Base interactions energy: -564.515 where: short stacking energy: -243.115 Base-Backbone interact. energy: 0.669 local terms energy: -280.724616 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -59.356 flat angles C4'-P-C4' energy: -55.974 flat angles P-C4'-P energy: -47.261 tors. eta vs tors. theta energy: -66.397 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: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -746.259060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.259060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.259060 (E_RNA) where: Base-Base interactions energy: -501.072 where: short stacking energy: -227.578 Base-Backbone interact. energy: 1.319 local terms energy: -246.506050 where: bonds (distance) C4'-P energy: -62.261 bonds (distance) P-C4' energy: -41.635 flat angles C4'-P-C4' energy: -54.862 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -52.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -392.484870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.484870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.484870 (E_RNA) where: Base-Base interactions energy: -193.911 where: short stacking energy: -107.390 Base-Backbone interact. energy: -1.833 local terms energy: -196.740325 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -52.104 flat angles C4'-P-C4' energy: -57.575 flat angles P-C4'-P energy: -25.515 tors. eta vs tors. theta energy: -3.828 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: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -386.885825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.885825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.885825 (E_RNA) where: Base-Base interactions energy: -191.055 where: short stacking energy: -111.154 Base-Backbone interact. energy: -1.765 local terms energy: -194.065949 where: bonds (distance) C4'-P energy: -36.913 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -32.385 tors. eta vs tors. theta energy: -7.347 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: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1215.391438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.391438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.391438 (E_RNA) where: Base-Base interactions energy: -869.385 where: short stacking energy: -331.878 Base-Backbone interact. energy: -2.545 local terms energy: -343.461804 where: bonds (distance) C4'-P energy: -54.356 bonds (distance) P-C4' energy: -65.599 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -54.426 tors. eta vs tors. theta energy: -98.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1153.449684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.449684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.449684 (E_RNA) where: Base-Base interactions energy: -825.060 where: short stacking energy: -324.303 Base-Backbone interact. energy: -1.290 local terms energy: -327.099489 where: bonds (distance) C4'-P energy: -65.283 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -94.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1091.152540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.152540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.152540 (E_RNA) where: Base-Base interactions energy: -746.177 where: short stacking energy: -312.853 Base-Backbone interact. energy: -1.260 local terms energy: -343.715800 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -69.413 flat angles C4'-P-C4' energy: -66.761 flat angles P-C4'-P energy: -49.445 tors. eta vs tors. theta energy: -94.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1092.015205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.015205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.015205 (E_RNA) where: Base-Base interactions energy: -760.436 where: short stacking energy: -315.222 Base-Backbone interact. energy: -0.229 local terms energy: -331.349944 where: bonds (distance) C4'-P energy: -57.176 bonds (distance) P-C4' energy: -67.987 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -37.591 tors. eta vs tors. theta energy: -95.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -960.603336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.603336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.603336 (E_RNA) where: Base-Base interactions energy: -655.937 where: short stacking energy: -266.232 Base-Backbone interact. energy: -0.245 local terms energy: -304.421080 where: bonds (distance) C4'-P energy: -58.715 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -62.605 flat angles P-C4'-P energy: -42.834 tors. eta vs tors. theta energy: -77.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -868.833804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.833804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.833804 (E_RNA) where: Base-Base interactions energy: -574.614 where: short stacking energy: -241.206 Base-Backbone interact. energy: -1.917 local terms energy: -292.302175 where: bonds (distance) C4'-P energy: -60.508 bonds (distance) P-C4' energy: -53.741 flat angles C4'-P-C4' energy: -70.874 flat angles P-C4'-P energy: -37.132 tors. eta vs tors. theta energy: -70.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -796.192414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.192414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.192414 (E_RNA) where: Base-Base interactions energy: -519.589 where: short stacking energy: -231.150 Base-Backbone interact. energy: -0.976 local terms energy: -275.627519 where: bonds (distance) C4'-P energy: -48.012 bonds (distance) P-C4' energy: -61.404 flat angles C4'-P-C4' energy: -57.103 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -63.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -738.237713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.237713 (E_RNA) where: Base-Base interactions energy: -481.040 where: short stacking energy: -212.396 Base-Backbone interact. energy: -0.451 local terms energy: -256.747057 where: bonds (distance) C4'-P energy: -59.986 bonds (distance) P-C4' energy: -58.063 flat angles C4'-P-C4' energy: -51.567 flat angles P-C4'-P energy: -34.039 tors. eta vs tors. theta energy: -53.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -409.600169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.600169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.600169 (E_RNA) where: Base-Base interactions energy: -210.678 where: short stacking energy: -125.835 Base-Backbone interact. energy: 4.007 local terms energy: -202.929686 where: bonds (distance) C4'-P energy: -51.911 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -47.437 flat angles P-C4'-P energy: -30.647 tors. eta vs tors. theta energy: -16.016 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: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -376.694984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.694984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.694984 (E_RNA) where: Base-Base interactions energy: -188.281 where: short stacking energy: -116.009 Base-Backbone interact. energy: -0.378 local terms energy: -188.036110 where: bonds (distance) C4'-P energy: -52.387 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -54.599 flat angles P-C4'-P energy: -22.155 tors. eta vs tors. theta energy: 1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1214.166607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.166607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.166607 (E_RNA) where: Base-Base interactions energy: -884.215 where: short stacking energy: -353.861 Base-Backbone interact. energy: 1.361 local terms energy: -331.312449 where: bonds (distance) C4'-P energy: -59.363 bonds (distance) P-C4' energy: -60.016 flat angles C4'-P-C4' energy: -72.314 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -94.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1159.435345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.435345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.435345 (E_RNA) where: Base-Base interactions energy: -822.420 where: short stacking energy: -319.951 Base-Backbone interact. energy: -1.741 local terms energy: -335.274234 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -60.904 flat angles C4'-P-C4' energy: -72.764 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -93.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1106.038411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.038411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.038411 (E_RNA) where: Base-Base interactions energy: -779.904 where: short stacking energy: -345.103 Base-Backbone interact. energy: -1.941 local terms energy: -324.193172 where: bonds (distance) C4'-P energy: -49.273 bonds (distance) P-C4' energy: -51.965 flat angles C4'-P-C4' energy: -76.833 flat angles P-C4'-P energy: -53.298 tors. eta vs tors. theta energy: -92.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1064.933103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.933103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.933103 (E_RNA) where: Base-Base interactions energy: -727.638 where: short stacking energy: -299.220 Base-Backbone interact. energy: -0.462 local terms energy: -336.832937 where: bonds (distance) C4'-P energy: -71.123 bonds (distance) P-C4' energy: -56.225 flat angles C4'-P-C4' energy: -68.418 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -92.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1001.937720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.937720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.937720 (E_RNA) where: Base-Base interactions energy: -687.134 where: short stacking energy: -272.780 Base-Backbone interact. energy: -1.681 local terms energy: -313.123338 where: bonds (distance) C4'-P energy: -68.395 bonds (distance) P-C4' energy: -51.573 flat angles C4'-P-C4' energy: -68.746 flat angles P-C4'-P energy: -49.719 tors. eta vs tors. theta energy: -74.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -883.580547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.580547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.580547 (E_RNA) where: Base-Base interactions energy: -601.962 where: short stacking energy: -261.268 Base-Backbone interact. energy: -1.560 local terms energy: -280.058593 where: bonds (distance) C4'-P energy: -33.268 bonds (distance) P-C4' energy: -75.506 flat angles C4'-P-C4' energy: -55.918 flat angles P-C4'-P energy: -38.910 tors. eta vs tors. theta energy: -76.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -813.722357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.722357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.722357 (E_RNA) where: Base-Base interactions energy: -541.450 where: short stacking energy: -235.835 Base-Backbone interact. energy: -2.217 local terms energy: -270.055046 where: bonds (distance) C4'-P energy: -46.260 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -69.256 flat angles P-C4'-P energy: -38.215 tors. eta vs tors. theta energy: -61.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -771.879978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.879978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.879978 (E_RNA) where: Base-Base interactions energy: -510.049 where: short stacking energy: -219.644 Base-Backbone interact. energy: 2.903 local terms energy: -264.733637 where: bonds (distance) C4'-P energy: -64.444 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -25.442 tors. eta vs tors. theta energy: -48.449 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: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -409.657454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.657454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.657454 (E_RNA) where: Base-Base interactions energy: -204.829 where: short stacking energy: -121.877 Base-Backbone interact. energy: 1.034 local terms energy: -205.862250 where: bonds (distance) C4'-P energy: -50.090 bonds (distance) P-C4' energy: -61.434 flat angles C4'-P-C4' energy: -48.839 flat angles P-C4'-P energy: -34.973 tors. eta vs tors. theta energy: -10.527 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: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -435.856960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.856960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.856960 (E_RNA) where: Base-Base interactions energy: -254.773 where: short stacking energy: -122.440 Base-Backbone interact. energy: 4.024 local terms energy: -185.107840 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -45.167 flat angles C4'-P-C4' energy: -44.062 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: -10.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1216.866060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.866060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.866060 (E_RNA) where: Base-Base interactions energy: -863.872 where: short stacking energy: -338.822 Base-Backbone interact. energy: 0.844 local terms energy: -353.838222 where: bonds (distance) C4'-P energy: -69.435 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -50.757 tors. eta vs tors. theta energy: -101.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1184.253499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.253499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.253499 (E_RNA) where: Base-Base interactions energy: -841.556 where: short stacking energy: -317.344 Base-Backbone interact. energy: -2.816 local terms energy: -339.881251 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -65.179 flat angles C4'-P-C4' energy: -66.449 flat angles P-C4'-P energy: -51.144 tors. eta vs tors. theta energy: -93.052 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: 420 Temperature: 1.000000 Total energy: -1090.071691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.071691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.071691 (E_RNA) where: Base-Base interactions energy: -753.267 where: short stacking energy: -319.153 Base-Backbone interact. energy: -0.343 local terms energy: -336.461110 where: bonds (distance) C4'-P energy: -59.928 bonds (distance) P-C4' energy: -58.225 flat angles C4'-P-C4' energy: -75.062 flat angles P-C4'-P energy: -46.308 tors. eta vs tors. theta energy: -96.938 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: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1072.094473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.094473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.094473 (E_RNA) where: Base-Base interactions energy: -728.516 where: short stacking energy: -301.274 Base-Backbone interact. energy: -1.831 local terms energy: -341.747140 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -954.159196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.159196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.159196 (E_RNA) where: Base-Base interactions energy: -674.021 where: short stacking energy: -274.346 Base-Backbone interact. energy: -0.583 local terms energy: -279.554889 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -54.670 flat angles C4'-P-C4' energy: -55.994 flat angles P-C4'-P energy: -36.053 tors. eta vs tors. theta energy: -75.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -906.904879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.904879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.904879 (E_RNA) where: Base-Base interactions energy: -633.411 where: short stacking energy: -257.293 Base-Backbone interact. energy: -0.351 local terms energy: -273.143017 where: bonds (distance) C4'-P energy: -46.668 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -62.454 flat angles P-C4'-P energy: -35.780 tors. eta vs tors. theta energy: -67.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -800.128723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.128723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.128723 (E_RNA) where: Base-Base interactions energy: -540.595 where: short stacking energy: -235.000 Base-Backbone interact. energy: 2.842 local terms energy: -262.375959 where: bonds (distance) C4'-P energy: -35.837 bonds (distance) P-C4' energy: -61.814 flat angles C4'-P-C4' energy: -62.808 flat angles P-C4'-P energy: -30.497 tors. eta vs tors. theta energy: -71.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -751.638659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.638659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.638659 (E_RNA) where: Base-Base interactions energy: -500.742 where: short stacking energy: -226.247 Base-Backbone interact. energy: -0.776 local terms energy: -250.120052 where: bonds (distance) C4'-P energy: -46.624 bonds (distance) P-C4' energy: -47.385 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -45.855 tors. eta vs tors. theta energy: -57.660 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: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -480.318120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.318120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.318120 (E_RNA) where: Base-Base interactions energy: -277.172 where: short stacking energy: -117.099 Base-Backbone interact. energy: 0.210 local terms energy: -203.355626 where: bonds (distance) C4'-P energy: -52.051 bonds (distance) P-C4' energy: -52.320 flat angles C4'-P-C4' energy: -53.259 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -12.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -390.575559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.575559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.575559 (E_RNA) where: Base-Base interactions energy: -196.660 where: short stacking energy: -108.311 Base-Backbone interact. energy: -1.523 local terms energy: -192.392774 where: bonds (distance) C4'-P energy: -46.526 bonds (distance) P-C4' energy: -56.101 flat angles C4'-P-C4' energy: -53.886 flat angles P-C4'-P energy: -28.229 tors. eta vs tors. theta energy: -7.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1211.605718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.605718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.605718 (E_RNA) where: Base-Base interactions energy: -869.060 where: short stacking energy: -340.294 Base-Backbone interact. energy: 1.129 local terms energy: -343.674280 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -64.386 flat angles C4'-P-C4' energy: -75.158 flat angles P-C4'-P energy: -47.888 tors. eta vs tors. theta energy: -96.408 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: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1164.366609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.366609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.366609 (E_RNA) where: Base-Base interactions energy: -815.006 where: short stacking energy: -312.305 Base-Backbone interact. energy: -3.762 local terms energy: -345.598632 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -75.039 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -91.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1104.889352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.889352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.889352 (E_RNA) where: Base-Base interactions energy: -761.251 where: short stacking energy: -312.790 Base-Backbone interact. energy: -0.098 local terms energy: -343.540361 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -59.610 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -47.378 tors. eta vs tors. theta energy: -96.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1089.246365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.246365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.246365 (E_RNA) where: Base-Base interactions energy: -750.079 where: short stacking energy: -308.240 Base-Backbone interact. energy: -0.794 local terms energy: -338.374133 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -56.323 flat angles C4'-P-C4' energy: -75.594 flat angles P-C4'-P energy: -49.691 tors. eta vs tors. theta energy: -91.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -972.753264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.753264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.753264 (E_RNA) where: Base-Base interactions energy: -662.274 where: short stacking energy: -262.549 Base-Backbone interact. energy: -0.665 local terms energy: -309.815054 where: bonds (distance) C4'-P energy: -62.420 bonds (distance) P-C4' energy: -64.249 flat angles C4'-P-C4' energy: -61.460 flat angles P-C4'-P energy: -41.787 tors. eta vs tors. theta energy: -79.899 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: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -928.967478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.967478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.967478 (E_RNA) where: Base-Base interactions energy: -633.458 where: short stacking energy: -259.193 Base-Backbone interact. energy: 1.355 local terms energy: -296.864015 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -45.038 flat angles C4'-P-C4' energy: -71.166 flat angles P-C4'-P energy: -47.026 tors. eta vs tors. theta energy: -72.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -846.093507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.093507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.093507 (E_RNA) where: Base-Base interactions energy: -558.678 where: short stacking energy: -225.784 Base-Backbone interact. energy: -0.405 local terms energy: -287.009960 where: bonds (distance) C4'-P energy: -55.624 bonds (distance) P-C4' energy: -58.055 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -44.626 tors. eta vs tors. theta energy: -63.595 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: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -778.279465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.279465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.279465 (E_RNA) where: Base-Base interactions energy: -498.344 where: short stacking energy: -223.817 Base-Backbone interact. energy: 1.824 local terms energy: -281.759259 where: bonds (distance) C4'-P energy: -54.401 bonds (distance) P-C4' energy: -64.720 flat angles C4'-P-C4' energy: -58.919 flat angles P-C4'-P energy: -41.069 tors. eta vs tors. theta energy: -62.649 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: 421 Temperature: 1.300000 Total energy: -489.356720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.356720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.356720 (E_RNA) where: Base-Base interactions energy: -272.824 where: short stacking energy: -131.111 Base-Backbone interact. energy: 2.336 local terms energy: -218.868820 where: bonds (distance) C4'-P energy: -49.883 bonds (distance) P-C4' energy: -66.604 flat angles C4'-P-C4' energy: -52.523 flat angles P-C4'-P energy: -40.464 tors. eta vs tors. theta energy: -9.395 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: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -373.775891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.775891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.775891 (E_RNA) where: Base-Base interactions energy: -181.921 where: short stacking energy: -101.252 Base-Backbone interact. energy: 0.675 local terms energy: -192.530427 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -71.124 flat angles C4'-P-C4' energy: -36.879 flat angles P-C4'-P energy: -19.241 tors. eta vs tors. theta energy: -9.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1223.702665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.702665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.702665 (E_RNA) where: Base-Base interactions energy: -875.132 where: short stacking energy: -332.834 Base-Backbone interact. energy: -3.789 local terms energy: -344.781437 where: bonds (distance) C4'-P energy: -64.346 bonds (distance) P-C4' energy: -63.729 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -47.529 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: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1154.727537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.727537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.727537 (E_RNA) where: Base-Base interactions energy: -811.002 where: short stacking energy: -304.018 Base-Backbone interact. energy: -0.211 local terms energy: -343.514075 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -67.798 flat angles C4'-P-C4' energy: -70.413 flat angles P-C4'-P energy: -56.209 tors. eta vs tors. theta energy: -83.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1085.888356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.888356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.888356 (E_RNA) where: Base-Base interactions energy: -751.863 where: short stacking energy: -308.840 Base-Backbone interact. energy: -0.148 local terms energy: -333.877681 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -63.999 flat angles C4'-P-C4' energy: -70.734 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -93.483 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: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1079.189764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.189764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.189764 (E_RNA) where: Base-Base interactions energy: -743.860 where: short stacking energy: -311.381 Base-Backbone interact. energy: -0.568 local terms energy: -334.761578 where: bonds (distance) C4'-P energy: -59.623 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -80.615 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -96.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1013.087985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.087985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.087985 (E_RNA) where: Base-Base interactions energy: -712.557 where: short stacking energy: -280.413 Base-Backbone interact. energy: -2.823 local terms energy: -297.708581 where: bonds (distance) C4'-P energy: -46.932 bonds (distance) P-C4' energy: -61.776 flat angles C4'-P-C4' energy: -69.562 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -78.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -924.466129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.466129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.466129 (E_RNA) where: Base-Base interactions energy: -634.237 where: short stacking energy: -251.421 Base-Backbone interact. energy: 1.036 local terms energy: -291.264934 where: bonds (distance) C4'-P energy: -58.914 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -69.270 flat angles P-C4'-P energy: -36.889 tors. eta vs tors. theta energy: -76.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -800.803844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.803844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.803844 (E_RNA) where: Base-Base interactions energy: -517.236 where: short stacking energy: -217.629 Base-Backbone interact. energy: 0.062 local terms energy: -283.629918 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -68.784 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -55.058 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: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -737.073917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.073917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.073917 (E_RNA) where: Base-Base interactions energy: -474.147 where: short stacking energy: -207.381 Base-Backbone interact. energy: -0.612 local terms energy: -262.314955 where: bonds (distance) C4'-P energy: -48.289 bonds (distance) P-C4' energy: -67.845 flat angles C4'-P-C4' energy: -61.706 flat angles P-C4'-P energy: -32.450 tors. eta vs tors. theta energy: -52.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -499.257738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.257738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.257738 (E_RNA) where: Base-Base interactions energy: -279.103 where: short stacking energy: -124.728 Base-Backbone interact. energy: -1.193 local terms energy: -218.961024 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -48.466 flat angles P-C4'-P energy: -36.807 tors. eta vs tors. theta energy: -14.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -398.209604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.209604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.209604 (E_RNA) where: Base-Base interactions energy: -232.108 where: short stacking energy: -115.733 Base-Backbone interact. energy: 0.220 local terms energy: -166.321301 where: bonds (distance) C4'-P energy: -49.460 bonds (distance) P-C4' energy: -56.428 flat angles C4'-P-C4' energy: -41.945 flat angles P-C4'-P energy: -15.854 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1226.672969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.672969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.672969 (E_RNA) where: Base-Base interactions energy: -868.728 where: short stacking energy: -328.572 Base-Backbone interact. energy: -0.873 local terms energy: -357.071561 where: bonds (distance) C4'-P energy: -72.364 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -73.654 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: -94.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1161.021247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.021247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.021247 (E_RNA) where: Base-Base interactions energy: -816.972 where: short stacking energy: -330.997 Base-Backbone interact. energy: -1.580 local terms energy: -342.469075 where: bonds (distance) C4'-P energy: -53.861 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -68.391 flat angles P-C4'-P energy: -58.438 tors. eta vs tors. theta energy: -95.178 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: 423 Temperature: 1.000000 Total energy: -1075.144771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.144771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.144771 (E_RNA) where: Base-Base interactions energy: -736.933 where: short stacking energy: -309.996 Base-Backbone interact. energy: -0.481 local terms energy: -337.730841 where: bonds (distance) C4'-P energy: -58.848 bonds (distance) P-C4' energy: -65.590 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -92.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1068.831417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.831417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.831417 (E_RNA) where: Base-Base interactions energy: -738.469 where: short stacking energy: -293.721 Base-Backbone interact. energy: -0.737 local terms energy: -329.625234 where: bonds (distance) C4'-P energy: -62.600 bonds (distance) P-C4' energy: -60.459 flat angles C4'-P-C4' energy: -61.025 flat angles P-C4'-P energy: -53.821 tors. eta vs tors. theta energy: -91.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1027.481572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.481572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.481572 (E_RNA) where: Base-Base interactions energy: -717.842 where: short stacking energy: -264.836 Base-Backbone interact. energy: 2.131 local terms energy: -311.770448 where: bonds (distance) C4'-P energy: -61.076 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -68.004 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -74.523 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: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -960.060367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.060367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.060367 (E_RNA) where: Base-Base interactions energy: -650.164 where: short stacking energy: -269.607 Base-Backbone interact. energy: -1.013 local terms energy: -308.883476 where: bonds (distance) C4'-P energy: -56.394 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -58.081 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -86.163 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: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -834.386558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.386558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.386558 (E_RNA) where: Base-Base interactions energy: -563.859 where: short stacking energy: -226.894 Base-Backbone interact. energy: -1.526 local terms energy: -269.001631 where: bonds (distance) C4'-P energy: -58.451 bonds (distance) P-C4' energy: -62.209 flat angles C4'-P-C4' energy: -62.466 flat angles P-C4'-P energy: -33.884 tors. eta vs tors. theta energy: -51.992 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: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -761.404046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.404046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.404046 (E_RNA) where: Base-Base interactions energy: -494.975 where: short stacking energy: -224.016 Base-Backbone interact. energy: 1.058 local terms energy: -267.487792 where: bonds (distance) C4'-P energy: -54.694 bonds (distance) P-C4' energy: -54.810 flat angles C4'-P-C4' energy: -63.698 flat angles P-C4'-P energy: -33.495 tors. eta vs tors. theta energy: -60.791 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: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -503.934926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.934926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.934926 (E_RNA) where: Base-Base interactions energy: -272.946 where: short stacking energy: -147.587 Base-Backbone interact. energy: -2.225 local terms energy: -228.764352 where: bonds (distance) C4'-P energy: -54.988 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -49.233 flat angles P-C4'-P energy: -37.681 tors. eta vs tors. theta energy: -21.721 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -371.428799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.428799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.428799 (E_RNA) where: Base-Base interactions energy: -204.106 where: short stacking energy: -94.481 Base-Backbone interact. energy: 1.898 local terms energy: -169.221228 where: bonds (distance) C4'-P energy: -49.548 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -35.306 flat angles P-C4'-P energy: -32.153 tors. eta vs tors. theta energy: 10.787 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: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1242.833558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.833558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.833558 (E_RNA) where: Base-Base interactions energy: -896.553 where: short stacking energy: -329.868 Base-Backbone interact. energy: 1.234 local terms energy: -347.514270 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -64.886 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: -99.714 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: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1159.170891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.170891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.170891 (E_RNA) where: Base-Base interactions energy: -825.792 where: short stacking energy: -318.010 Base-Backbone interact. energy: 0.795 local terms energy: -334.173886 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -30.633 tors. eta vs tors. theta energy: -99.198 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: 424 Temperature: 1.000000 Total energy: -1101.662422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.662422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.662422 (E_RNA) where: Base-Base interactions energy: -755.842 where: short stacking energy: -317.712 Base-Backbone interact. energy: -1.548 local terms energy: -344.272679 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -70.406 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -43.722 tors. eta vs tors. theta energy: -96.754 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: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1082.321699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.321699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.321699 (E_RNA) where: Base-Base interactions energy: -741.440 where: short stacking energy: -315.865 Base-Backbone interact. energy: -1.140 local terms energy: -339.741795 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -66.148 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -47.449 tors. eta vs tors. theta energy: -87.735 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: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1044.612850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.612850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.612850 (E_RNA) where: Base-Base interactions energy: -732.674 where: short stacking energy: -279.693 Base-Backbone interact. energy: -1.849 local terms energy: -310.089837 where: bonds (distance) C4'-P energy: -55.334 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -64.998 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -85.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -939.158995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.158995 (E_RNA) where: Base-Base interactions energy: -639.092 where: short stacking energy: -268.550 Base-Backbone interact. energy: -0.013 local terms energy: -300.054058 where: bonds (distance) C4'-P energy: -66.796 bonds (distance) P-C4' energy: -57.689 flat angles C4'-P-C4' energy: -62.489 flat angles P-C4'-P energy: -43.589 tors. eta vs tors. theta energy: -69.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -846.239901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.239901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.239901 (E_RNA) where: Base-Base interactions energy: -555.862 where: short stacking energy: -240.827 Base-Backbone interact. energy: -0.414 local terms energy: -289.963857 where: bonds (distance) C4'-P energy: -48.923 bonds (distance) P-C4' energy: -62.163 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -39.064 tors. eta vs tors. theta energy: -78.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -765.889634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.889634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.889634 (E_RNA) where: Base-Base interactions energy: -494.989 where: short stacking energy: -224.624 Base-Backbone interact. energy: -0.283 local terms energy: -270.617247 where: bonds (distance) C4'-P energy: -58.835 bonds (distance) P-C4' energy: -57.051 flat angles C4'-P-C4' energy: -55.493 flat angles P-C4'-P energy: -39.835 tors. eta vs tors. theta energy: -59.403 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: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -532.368637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.368637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.368637 (E_RNA) where: Base-Base interactions energy: -320.109 where: short stacking energy: -142.260 Base-Backbone interact. energy: -0.629 local terms energy: -211.630017 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -44.244 flat angles P-C4'-P energy: -29.168 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -451.508662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.508662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.508662 (E_RNA) where: Base-Base interactions energy: -235.825 where: short stacking energy: -114.082 Base-Backbone interact. energy: -0.917 local terms energy: -214.765683 where: bonds (distance) C4'-P energy: -60.953 bonds (distance) P-C4' energy: -49.489 flat angles C4'-P-C4' energy: -55.148 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: -7.766 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: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1239.375289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.375289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.375289 (E_RNA) where: Base-Base interactions energy: -878.549 where: short stacking energy: -344.880 Base-Backbone interact. energy: 0.297 local terms energy: -361.122868 where: bonds (distance) C4'-P energy: -60.057 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -80.937 flat angles P-C4'-P energy: -55.867 tors. eta vs tors. theta energy: -101.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1159.931745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.931745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.931745 (E_RNA) where: Base-Base interactions energy: -823.445 where: short stacking energy: -306.731 Base-Backbone interact. energy: -0.714 local terms energy: -335.772923 where: bonds (distance) C4'-P energy: -65.032 bonds (distance) P-C4' energy: -66.446 flat angles C4'-P-C4' energy: -73.458 flat angles P-C4'-P energy: -36.882 tors. eta vs tors. theta energy: -93.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1081.844055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.844055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.844055 (E_RNA) where: Base-Base interactions energy: -739.868 where: short stacking energy: -312.798 Base-Backbone interact. energy: -0.589 local terms energy: -341.387269 where: bonds (distance) C4'-P energy: -63.632 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -70.233 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -98.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1042.068318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.068318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.068318 (E_RNA) where: Base-Base interactions energy: -730.475 where: short stacking energy: -290.047 Base-Backbone interact. energy: -1.044 local terms energy: -310.549986 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -60.455 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -85.429 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: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1036.594813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.594813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.594813 (E_RNA) where: Base-Base interactions energy: -719.483 where: short stacking energy: -282.197 Base-Backbone interact. energy: -2.476 local terms energy: -314.636076 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -59.102 flat angles C4'-P-C4' energy: -65.847 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -84.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -946.896763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.896763 (E_RNA) where: Base-Base interactions energy: -644.939 where: short stacking energy: -280.611 Base-Backbone interact. energy: 0.070 local terms energy: -302.027391 where: bonds (distance) C4'-P energy: -50.268 bonds (distance) P-C4' energy: -58.988 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: -84.077 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: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -844.220638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.220638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.220638 (E_RNA) where: Base-Base interactions energy: -563.991 where: short stacking energy: -243.468 Base-Backbone interact. energy: -0.603 local terms energy: -279.627142 where: bonds (distance) C4'-P energy: -63.192 bonds (distance) P-C4' energy: -58.629 flat angles C4'-P-C4' energy: -57.989 flat angles P-C4'-P energy: -37.280 tors. eta vs tors. theta energy: -62.538 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: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -745.792095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.792095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.792095 (E_RNA) where: Base-Base interactions energy: -469.300 where: short stacking energy: -209.181 Base-Backbone interact. energy: 0.588 local terms energy: -277.079499 where: bonds (distance) C4'-P energy: -63.895 bonds (distance) P-C4' energy: -60.247 flat angles C4'-P-C4' energy: -63.108 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -48.866 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -527.010429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.010429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.010429 (E_RNA) where: Base-Base interactions energy: -304.476 where: short stacking energy: -140.338 Base-Backbone interact. energy: -0.210 local terms energy: -222.324664 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -51.495 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: -19.208 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: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -383.344546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.344546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.344546 (E_RNA) where: Base-Base interactions energy: -206.521 where: short stacking energy: -124.308 Base-Backbone interact. energy: 0.000 local terms energy: -176.823702 where: bonds (distance) C4'-P energy: -35.596 bonds (distance) P-C4' energy: -55.294 flat angles C4'-P-C4' energy: -48.931 flat angles P-C4'-P energy: -22.474 tors. eta vs tors. theta energy: -14.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1244.410117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.410117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.410117 (E_RNA) where: Base-Base interactions energy: -897.357 where: short stacking energy: -318.089 Base-Backbone interact. energy: -0.115 local terms energy: -346.938250 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -75.707 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -89.740 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: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1183.234342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.234342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.234342 (E_RNA) where: Base-Base interactions energy: -829.942 where: short stacking energy: -337.581 Base-Backbone interact. energy: -1.464 local terms energy: -351.827512 where: bonds (distance) C4'-P energy: -70.859 bonds (distance) P-C4' energy: -61.562 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -43.919 tors. eta vs tors. theta energy: -99.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1102.922130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.922130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.922130 (E_RNA) where: Base-Base interactions energy: -758.159 where: short stacking energy: -333.836 Base-Backbone interact. energy: 0.147 local terms energy: -344.909529 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -68.104 flat angles C4'-P-C4' energy: -65.936 flat angles P-C4'-P energy: -49.070 tors. eta vs tors. theta energy: -99.054 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: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1080.955378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.955378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.955378 (E_RNA) where: Base-Base interactions energy: -759.647 where: short stacking energy: -330.476 Base-Backbone interact. energy: 0.069 local terms energy: -321.376696 where: bonds (distance) C4'-P energy: -59.155 bonds (distance) P-C4' energy: -42.270 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -50.530 tors. eta vs tors. theta energy: -95.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1027.525515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.525515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.525515 (E_RNA) where: Base-Base interactions energy: -712.405 where: short stacking energy: -284.891 Base-Backbone interact. energy: -0.050 local terms energy: -315.070927 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -54.740 flat angles C4'-P-C4' energy: -76.604 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -79.717 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: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -971.782051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.782051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.782051 (E_RNA) where: Base-Base interactions energy: -687.851 where: short stacking energy: -289.803 Base-Backbone interact. energy: -1.899 local terms energy: -282.032460 where: bonds (distance) C4'-P energy: -43.576 bonds (distance) P-C4' energy: -53.082 flat angles C4'-P-C4' energy: -61.554 flat angles P-C4'-P energy: -41.962 tors. eta vs tors. theta energy: -81.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -830.522359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.522359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.522359 (E_RNA) where: Base-Base interactions energy: -567.772 where: short stacking energy: -229.059 Base-Backbone interact. energy: 0.912 local terms energy: -263.661883 where: bonds (distance) C4'-P energy: -44.000 bonds (distance) P-C4' energy: -54.538 flat angles C4'-P-C4' energy: -64.878 flat angles P-C4'-P energy: -41.855 tors. eta vs tors. theta energy: -58.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -750.649984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.649984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.649984 (E_RNA) where: Base-Base interactions energy: -501.664 where: short stacking energy: -219.547 Base-Backbone interact. energy: 3.882 local terms energy: -252.867730 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -47.004 flat angles C4'-P-C4' energy: -47.053 flat angles P-C4'-P energy: -43.021 tors. eta vs tors. theta energy: -61.593 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: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -490.602993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.602993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.602993 (E_RNA) where: Base-Base interactions energy: -270.307 where: short stacking energy: -130.128 Base-Backbone interact. energy: -0.293 local terms energy: -220.003021 where: bonds (distance) C4'-P energy: -59.066 bonds (distance) P-C4' energy: -63.602 flat angles C4'-P-C4' energy: -48.932 flat angles P-C4'-P energy: -31.393 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -365.720301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.720301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.720301 (E_RNA) where: Base-Base interactions energy: -193.517 where: short stacking energy: -90.395 Base-Backbone interact. energy: 0.698 local terms energy: -172.901773 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -53.318 flat angles C4'-P-C4' energy: -43.175 flat angles P-C4'-P energy: -20.869 tors. eta vs tors. theta energy: 3.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1220.490813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.490813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.490813 (E_RNA) where: Base-Base interactions energy: -885.513 where: short stacking energy: -330.359 Base-Backbone interact. energy: -2.683 local terms energy: -332.295426 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -93.899 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: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1191.968986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.968986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.968986 (E_RNA) where: Base-Base interactions energy: -828.849 where: short stacking energy: -328.593 Base-Backbone interact. energy: 0.692 local terms energy: -363.811202 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -67.597 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -102.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1102.963567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.963567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.963567 (E_RNA) where: Base-Base interactions energy: -774.423 where: short stacking energy: -313.688 Base-Backbone interact. energy: -2.869 local terms energy: -325.671247 where: bonds (distance) C4'-P energy: -58.331 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -73.197 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: -90.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1079.119755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.119755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.119755 (E_RNA) where: Base-Base interactions energy: -752.211 where: short stacking energy: -305.140 Base-Backbone interact. energy: -0.478 local terms energy: -326.430173 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -67.318 flat angles C4'-P-C4' energy: -56.545 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -94.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -996.359655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.359655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.359655 (E_RNA) where: Base-Base interactions energy: -687.931 where: short stacking energy: -273.745 Base-Backbone interact. energy: -0.379 local terms energy: -308.050326 where: bonds (distance) C4'-P energy: -57.402 bonds (distance) P-C4' energy: -62.858 flat angles C4'-P-C4' energy: -72.863 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -73.287 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: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -951.216813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.216813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.216813 (E_RNA) where: Base-Base interactions energy: -651.887 where: short stacking energy: -269.942 Base-Backbone interact. energy: -0.990 local terms energy: -298.339616 where: bonds (distance) C4'-P energy: -58.319 bonds (distance) P-C4' energy: -54.932 flat angles C4'-P-C4' energy: -68.624 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -71.474 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -810.362302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.362302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.362302 (E_RNA) where: Base-Base interactions energy: -529.033 where: short stacking energy: -225.882 Base-Backbone interact. energy: 3.226 local terms energy: -284.555382 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -55.178 flat angles C4'-P-C4' energy: -58.169 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -67.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -734.989548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.989548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.989548 (E_RNA) where: Base-Base interactions energy: -476.759 where: short stacking energy: -202.863 Base-Backbone interact. energy: -3.322 local terms energy: -254.908092 where: bonds (distance) C4'-P energy: -59.813 bonds (distance) P-C4' energy: -52.385 flat angles C4'-P-C4' energy: -53.015 flat angles P-C4'-P energy: -41.563 tors. eta vs tors. theta energy: -48.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -452.608530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.608530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.608530 (E_RNA) where: Base-Base interactions energy: -246.252 where: short stacking energy: -132.129 Base-Backbone interact. energy: 2.309 local terms energy: -208.666126 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -51.385 flat angles C4'-P-C4' energy: -56.550 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -365.904868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.904868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.904868 (E_RNA) where: Base-Base interactions energy: -195.678 where: short stacking energy: -92.306 Base-Backbone interact. energy: 0.341 local terms energy: -170.568004 where: bonds (distance) C4'-P energy: -53.938 bonds (distance) P-C4' energy: -54.696 flat angles C4'-P-C4' energy: -37.180 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: 8.494 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: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1226.125851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.125851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.125851 (E_RNA) where: Base-Base interactions energy: -872.562 where: short stacking energy: -334.469 Base-Backbone interact. energy: 2.915 local terms energy: -356.477992 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -70.582 flat angles C4'-P-C4' energy: -70.009 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -99.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1176.072645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.072645 (E_RNA) where: Base-Base interactions energy: -817.909 where: short stacking energy: -336.672 Base-Backbone interact. energy: 2.503 local terms energy: -360.666280 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -47.134 tors. eta vs tors. theta energy: -96.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1126.315969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.315969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.315969 (E_RNA) where: Base-Base interactions energy: -781.955 where: short stacking energy: -341.395 Base-Backbone interact. energy: -0.421 local terms energy: -343.940044 where: bonds (distance) C4'-P energy: -69.335 bonds (distance) P-C4' energy: -60.694 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -46.681 tors. eta vs tors. theta energy: -98.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1057.736550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.736550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.736550 (E_RNA) where: Base-Base interactions energy: -737.623 where: short stacking energy: -291.304 Base-Backbone interact. energy: -2.669 local terms energy: -317.445272 where: bonds (distance) C4'-P energy: -51.836 bonds (distance) P-C4' energy: -65.480 flat angles C4'-P-C4' energy: -76.242 flat angles P-C4'-P energy: -39.222 tors. eta vs tors. theta energy: -84.666 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: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -986.426623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.426623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.426623 (E_RNA) where: Base-Base interactions energy: -669.063 where: short stacking energy: -288.526 Base-Backbone interact. energy: 0.580 local terms energy: -317.942921 where: bonds (distance) C4'-P energy: -66.358 bonds (distance) P-C4' energy: -53.186 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: -86.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -994.632505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.632505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.632505 (E_RNA) where: Base-Base interactions energy: -683.737 where: short stacking energy: -280.219 Base-Backbone interact. energy: -1.808 local terms energy: -309.087188 where: bonds (distance) C4'-P energy: -53.454 bonds (distance) P-C4' energy: -61.483 flat angles C4'-P-C4' energy: -70.451 flat angles P-C4'-P energy: -40.716 tors. eta vs tors. theta energy: -82.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -840.463375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.463375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.463375 (E_RNA) where: Base-Base interactions energy: -546.479 where: short stacking energy: -225.289 Base-Backbone interact. energy: -0.920 local terms energy: -293.064476 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -68.566 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -63.629 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: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -742.810144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.810144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.810144 (E_RNA) where: Base-Base interactions energy: -483.647 where: short stacking energy: -218.926 Base-Backbone interact. energy: -0.264 local terms energy: -258.899525 where: bonds (distance) C4'-P energy: -56.793 bonds (distance) P-C4' energy: -49.967 flat angles C4'-P-C4' energy: -61.642 flat angles P-C4'-P energy: -35.988 tors. eta vs tors. theta energy: -54.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -385.338959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.338959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.338959 (E_RNA) where: Base-Base interactions energy: -177.628 where: short stacking energy: -104.542 Base-Backbone interact. energy: 3.818 local terms energy: -211.529141 where: bonds (distance) C4'-P energy: -53.247 bonds (distance) P-C4' energy: -51.051 flat angles C4'-P-C4' energy: -61.890 flat angles P-C4'-P energy: -32.429 tors. eta vs tors. theta energy: -12.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -371.317973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.317973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.317973 (E_RNA) where: Base-Base interactions energy: -190.775 where: short stacking energy: -100.847 Base-Backbone interact. energy: 0.027 local terms energy: -180.569294 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -71.631 flat angles C4'-P-C4' energy: -50.599 flat angles P-C4'-P energy: -11.355 tors. eta vs tors. theta energy: 5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1220.105892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.105892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.105892 (E_RNA) where: Base-Base interactions energy: -858.878 where: short stacking energy: -324.522 Base-Backbone interact. energy: 0.534 local terms energy: -361.761579 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -71.499 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -103.863 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: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1162.153032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.153032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.153032 (E_RNA) where: Base-Base interactions energy: -806.997 where: short stacking energy: -312.948 Base-Backbone interact. energy: -1.651 local terms energy: -353.505050 where: bonds (distance) C4'-P energy: -62.594 bonds (distance) P-C4' energy: -73.746 flat angles C4'-P-C4' energy: -71.142 flat angles P-C4'-P energy: -51.102 tors. eta vs tors. theta energy: -94.922 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: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1123.026549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.026549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.026549 (E_RNA) where: Base-Base interactions energy: -766.700 where: short stacking energy: -338.983 Base-Backbone interact. energy: -0.275 local terms energy: -356.051904 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -63.560 flat angles C4'-P-C4' energy: -75.328 flat angles P-C4'-P energy: -50.802 tors. eta vs tors. theta energy: -105.633 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: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1067.357006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.357006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.357006 (E_RNA) where: Base-Base interactions energy: -738.601 where: short stacking energy: -298.034 Base-Backbone interact. energy: -1.188 local terms energy: -327.567752 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -59.346 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -36.770 tors. eta vs tors. theta energy: -94.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1035.585724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.585724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.585724 (E_RNA) where: Base-Base interactions energy: -709.432 where: short stacking energy: -303.359 Base-Backbone interact. energy: 2.265 local terms energy: -328.418717 where: bonds (distance) C4'-P energy: -60.580 bonds (distance) P-C4' energy: -67.549 flat angles C4'-P-C4' energy: -60.273 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -86.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1017.956572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.956572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.956572 (E_RNA) where: Base-Base interactions energy: -709.799 where: short stacking energy: -279.383 Base-Backbone interact. energy: 0.514 local terms energy: -308.671750 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: -82.761 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: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -825.983079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.983079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.983079 (E_RNA) where: Base-Base interactions energy: -534.562 where: short stacking energy: -233.414 Base-Backbone interact. energy: -1.348 local terms energy: -290.073224 where: bonds (distance) C4'-P energy: -66.559 bonds (distance) P-C4' energy: -59.346 flat angles C4'-P-C4' energy: -66.306 flat angles P-C4'-P energy: -26.738 tors. eta vs tors. theta energy: -71.123 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: 8, replica: 4 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -748.158949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.158949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.158949 (E_RNA) where: Base-Base interactions energy: -487.433 where: short stacking energy: -206.712 Base-Backbone interact. energy: -2.063 local terms energy: -258.662366 where: bonds (distance) C4'-P energy: -51.169 bonds (distance) P-C4' energy: -56.145 flat angles C4'-P-C4' energy: -65.146 flat angles P-C4'-P energy: -36.148 tors. eta vs tors. theta energy: -50.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -399.495363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.495363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.495363 (E_RNA) where: Base-Base interactions energy: -226.804 where: short stacking energy: -142.834 Base-Backbone interact. energy: -0.673 local terms energy: -172.017778 where: bonds (distance) C4'-P energy: -39.957 bonds (distance) P-C4' energy: -53.634 flat angles C4'-P-C4' energy: -44.472 flat angles P-C4'-P energy: -21.174 tors. eta vs tors. theta energy: -12.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -391.705895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.705895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.705895 (E_RNA) where: Base-Base interactions energy: -195.319 where: short stacking energy: -102.472 Base-Backbone interact. energy: 3.360 local terms energy: -199.746878 where: bonds (distance) C4'-P energy: -59.198 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -57.599 flat angles P-C4'-P energy: -29.701 tors. eta vs tors. theta energy: 2.841 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: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1157.354326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.354326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.354326 (E_RNA) where: Base-Base interactions energy: -801.821 where: short stacking energy: -297.070 Base-Backbone interact. energy: -2.070 local terms energy: -353.463510 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -67.841 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -87.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1204.698598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.698598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.698598 (E_RNA) where: Base-Base interactions energy: -859.384 where: short stacking energy: -345.825 Base-Backbone interact. energy: -0.052 local terms energy: -345.262431 where: bonds (distance) C4'-P energy: -56.544 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: -100.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1112.636805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.636805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.636805 (E_RNA) where: Base-Base interactions energy: -758.523 where: short stacking energy: -338.353 Base-Backbone interact. energy: -2.500 local terms energy: -351.613732 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -72.765 flat angles P-C4'-P energy: -50.273 tors. eta vs tors. theta energy: -98.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1071.950081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.950081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.950081 (E_RNA) where: Base-Base interactions energy: -745.199 where: short stacking energy: -297.746 Base-Backbone interact. energy: -2.092 local terms energy: -324.660043 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -68.938 flat angles P-C4'-P energy: -38.999 tors. eta vs tors. theta energy: -86.459 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: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -996.355734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.355734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.355734 (E_RNA) where: Base-Base interactions energy: -695.104 where: short stacking energy: -285.776 Base-Backbone interact. energy: 2.968 local terms energy: -304.219998 where: bonds (distance) C4'-P energy: -55.813 bonds (distance) P-C4' energy: -48.533 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -84.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -952.679491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.679491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.679491 (E_RNA) where: Base-Base interactions energy: -656.933 where: short stacking energy: -253.413 Base-Backbone interact. energy: -2.150 local terms energy: -293.596671 where: bonds (distance) C4'-P energy: -61.540 bonds (distance) P-C4' energy: -59.532 flat angles C4'-P-C4' energy: -59.633 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -72.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -843.834560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.834560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.834560 (E_RNA) where: Base-Base interactions energy: -560.159 where: short stacking energy: -243.491 Base-Backbone interact. energy: 1.208 local terms energy: -284.884133 where: bonds (distance) C4'-P energy: -48.685 bonds (distance) P-C4' energy: -57.370 flat angles C4'-P-C4' energy: -68.067 flat angles P-C4'-P energy: -40.054 tors. eta vs tors. theta energy: -70.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -758.419612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.419612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.419612 (E_RNA) where: Base-Base interactions energy: -495.696 where: short stacking energy: -217.299 Base-Backbone interact. energy: 0.363 local terms energy: -263.086514 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -51.925 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -61.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -466.466321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.466321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.466321 (E_RNA) where: Base-Base interactions energy: -249.916 where: short stacking energy: -122.628 Base-Backbone interact. energy: 0.992 local terms energy: -217.542828 where: bonds (distance) C4'-P energy: -66.383 bonds (distance) P-C4' energy: -56.727 flat angles C4'-P-C4' energy: -47.183 flat angles P-C4'-P energy: -33.475 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -387.155450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.155450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.155450 (E_RNA) where: Base-Base interactions energy: -187.416 where: short stacking energy: -109.048 Base-Backbone interact. energy: 0.901 local terms energy: -200.640433 where: bonds (distance) C4'-P energy: -47.101 bonds (distance) P-C4' energy: -63.238 flat angles C4'-P-C4' energy: -46.959 flat angles P-C4'-P energy: -33.833 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1170.309728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.309728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.309728 (E_RNA) where: Base-Base interactions energy: -810.687 where: short stacking energy: -322.515 Base-Backbone interact. energy: -1.339 local terms energy: -358.283084 where: bonds (distance) C4'-P energy: -69.137 bonds (distance) P-C4' energy: -63.598 flat angles C4'-P-C4' energy: -78.392 flat angles P-C4'-P energy: -50.207 tors. eta vs tors. theta energy: -96.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1187.815856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.815856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.815856 (E_RNA) where: Base-Base interactions energy: -848.201 where: short stacking energy: -322.987 Base-Backbone interact. energy: -2.926 local terms energy: -336.688739 where: bonds (distance) C4'-P energy: -68.121 bonds (distance) P-C4' energy: -65.103 flat angles C4'-P-C4' energy: -70.193 flat angles P-C4'-P energy: -45.160 tors. eta vs tors. theta energy: -88.112 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: 431 Temperature: 1.000000 Total energy: -1121.849753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.849753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.849753 (E_RNA) where: Base-Base interactions energy: -777.558 where: short stacking energy: -334.573 Base-Backbone interact. energy: -1.502 local terms energy: -342.789515 where: bonds (distance) C4'-P energy: -55.006 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -45.829 tors. eta vs tors. theta energy: -105.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1078.556291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.556291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.556291 (E_RNA) where: Base-Base interactions energy: -768.541 where: short stacking energy: -312.113 Base-Backbone interact. energy: -0.740 local terms energy: -309.275167 where: bonds (distance) C4'-P energy: -55.279 bonds (distance) P-C4' energy: -62.920 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -32.757 tors. eta vs tors. theta energy: -89.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1012.120839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.120839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.120839 (E_RNA) where: Base-Base interactions energy: -711.378 where: short stacking energy: -274.556 Base-Backbone interact. energy: -0.185 local terms energy: -300.557941 where: bonds (distance) C4'-P energy: -52.255 bonds (distance) P-C4' energy: -56.432 flat angles C4'-P-C4' energy: -63.450 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -78.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -970.123741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.123741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.123741 (E_RNA) where: Base-Base interactions energy: -683.404 where: short stacking energy: -243.177 Base-Backbone interact. energy: -1.522 local terms energy: -285.197940 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -55.465 flat angles P-C4'-P energy: -40.851 tors. eta vs tors. theta energy: -65.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -822.263179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.263179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.263179 (E_RNA) where: Base-Base interactions energy: -532.264 where: short stacking energy: -221.762 Base-Backbone interact. energy: -0.691 local terms energy: -289.308230 where: bonds (distance) C4'-P energy: -62.953 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -59.036 flat angles P-C4'-P energy: -37.729 tors. eta vs tors. theta energy: -66.146 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: 8, replica: 4 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -784.140286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.140286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.140286 (E_RNA) where: Base-Base interactions energy: -508.459 where: short stacking energy: -226.895 Base-Backbone interact. energy: -0.523 local terms energy: -275.159097 where: bonds (distance) C4'-P energy: -52.393 bonds (distance) P-C4' energy: -65.922 flat angles C4'-P-C4' energy: -60.120 flat angles P-C4'-P energy: -31.048 tors. eta vs tors. theta energy: -65.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -442.639205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.639205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.639205 (E_RNA) where: Base-Base interactions energy: -225.376 where: short stacking energy: -130.275 Base-Backbone interact. energy: -1.578 local terms energy: -215.684790 where: bonds (distance) C4'-P energy: -45.696 bonds (distance) P-C4' energy: -54.979 flat angles C4'-P-C4' energy: -63.242 flat angles P-C4'-P energy: -28.588 tors. eta vs tors. theta energy: -23.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -364.760318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.760318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.760318 (E_RNA) where: Base-Base interactions energy: -178.510 where: short stacking energy: -95.284 Base-Backbone interact. energy: 0.463 local terms energy: -186.713913 where: bonds (distance) C4'-P energy: -57.896 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -28.269 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1212.296140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.296140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.296140 (E_RNA) where: Base-Base interactions energy: -868.212 where: short stacking energy: -341.610 Base-Backbone interact. energy: -2.098 local terms energy: -341.986512 where: bonds (distance) C4'-P energy: -57.184 bonds (distance) P-C4' energy: -65.730 flat angles C4'-P-C4' energy: -68.904 flat angles P-C4'-P energy: -45.461 tors. eta vs tors. theta energy: -104.708 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: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1162.009156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.009156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.009156 (E_RNA) where: Base-Base interactions energy: -816.826 where: short stacking energy: -322.476 Base-Backbone interact. energy: 1.902 local terms energy: -347.085248 where: bonds (distance) C4'-P energy: -69.404 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -78.212 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -93.661 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: 432 Temperature: 1.000000 Total energy: -1109.524799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.524799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.524799 (E_RNA) where: Base-Base interactions energy: -757.418 where: short stacking energy: -320.163 Base-Backbone interact. energy: -1.194 local terms energy: -350.912833 where: bonds (distance) C4'-P energy: -61.583 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -57.223 tors. eta vs tors. theta energy: -101.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1087.357069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.357069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.357069 (E_RNA) where: Base-Base interactions energy: -779.406 where: short stacking energy: -318.215 Base-Backbone interact. energy: -1.101 local terms energy: -306.851006 where: bonds (distance) C4'-P energy: -47.951 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -71.280 flat angles P-C4'-P energy: -38.647 tors. eta vs tors. theta energy: -88.116 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: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1055.263881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.263881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.263881 (E_RNA) where: Base-Base interactions energy: -712.027 where: short stacking energy: -304.969 Base-Backbone interact. energy: -1.562 local terms energy: -341.674859 where: bonds (distance) C4'-P energy: -60.409 bonds (distance) P-C4' energy: -62.160 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -49.689 tors. eta vs tors. theta energy: -102.573 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: 6, replica: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -975.283766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.283766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.283766 (E_RNA) where: Base-Base interactions energy: -669.849 where: short stacking energy: -273.906 Base-Backbone interact. energy: -3.357 local terms energy: -302.077904 where: bonds (distance) C4'-P energy: -57.873 bonds (distance) P-C4' energy: -54.777 flat angles C4'-P-C4' energy: -66.690 flat angles P-C4'-P energy: -43.292 tors. eta vs tors. theta energy: -79.446 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: 7, replica: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -795.227279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.227279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.227279 (E_RNA) where: Base-Base interactions energy: -512.352 where: short stacking energy: -214.014 Base-Backbone interact. energy: -0.642 local terms energy: -282.233017 where: bonds (distance) C4'-P energy: -51.196 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -36.131 tors. eta vs tors. theta energy: -63.759 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: 4 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -743.520817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.520817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.520817 (E_RNA) where: Base-Base interactions energy: -472.296 where: short stacking energy: -195.744 Base-Backbone interact. energy: 0.158 local terms energy: -271.382657 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -53.437 flat angles C4'-P-C4' energy: -62.805 flat angles P-C4'-P energy: -38.495 tors. eta vs tors. theta energy: -56.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -423.906046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.906046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.906046 (E_RNA) where: Base-Base interactions energy: -194.979 where: short stacking energy: -116.828 Base-Backbone interact. energy: -0.930 local terms energy: -227.997860 where: bonds (distance) C4'-P energy: -58.102 bonds (distance) P-C4' energy: -69.337 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: -5.641 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: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -386.644805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.644805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.644805 (E_RNA) where: Base-Base interactions energy: -195.451 where: short stacking energy: -115.973 Base-Backbone interact. energy: -0.760 local terms energy: -190.433501 where: bonds (distance) C4'-P energy: -43.062 bonds (distance) P-C4' energy: -59.890 flat angles C4'-P-C4' energy: -47.694 flat angles P-C4'-P energy: -24.401 tors. eta vs tors. theta energy: -15.387 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: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1214.437913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.437913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.437913 (E_RNA) where: Base-Base interactions energy: -859.099 where: short stacking energy: -340.227 Base-Backbone interact. energy: -0.850 local terms energy: -354.488472 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -64.781 flat angles C4'-P-C4' energy: -75.551 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -102.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1167.750224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.750224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.750224 (E_RNA) where: Base-Base interactions energy: -830.159 where: short stacking energy: -315.221 Base-Backbone interact. energy: -2.438 local terms energy: -335.153716 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -74.878 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -90.183 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: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1112.371103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.371103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.371103 (E_RNA) where: Base-Base interactions energy: -780.179 where: short stacking energy: -327.974 Base-Backbone interact. energy: -2.418 local terms energy: -329.774024 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -95.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1061.214728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.214728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.214728 (E_RNA) where: Base-Base interactions energy: -726.615 where: short stacking energy: -319.656 Base-Backbone interact. energy: 0.756 local terms energy: -335.355458 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -75.061 flat angles P-C4'-P energy: -48.226 tors. eta vs tors. theta energy: -95.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1010.507652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.507652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.507652 (E_RNA) where: Base-Base interactions energy: -689.045 where: short stacking energy: -281.368 Base-Backbone interact. energy: -1.494 local terms energy: -319.968475 where: bonds (distance) C4'-P energy: -53.095 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -71.066 flat angles P-C4'-P energy: -49.854 tors. eta vs tors. theta energy: -85.837 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: 9 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -973.614728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.614728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.614728 (E_RNA) where: Base-Base interactions energy: -670.951 where: short stacking energy: -261.234 Base-Backbone interact. energy: -1.844 local terms energy: -300.820314 where: bonds (distance) C4'-P energy: -60.142 bonds (distance) P-C4' energy: -70.232 flat angles C4'-P-C4' energy: -54.900 flat angles P-C4'-P energy: -44.655 tors. eta vs tors. theta energy: -70.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -800.460673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.460673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.460673 (E_RNA) where: Base-Base interactions energy: -504.154 where: short stacking energy: -223.812 Base-Backbone interact. energy: -0.660 local terms energy: -295.646976 where: bonds (distance) C4'-P energy: -67.995 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -60.060 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -63.858 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: 4 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -786.228473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.228473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.228473 (E_RNA) where: Base-Base interactions energy: -495.823 where: short stacking energy: -219.113 Base-Backbone interact. energy: -0.577 local terms energy: -289.828569 where: bonds (distance) C4'-P energy: -64.992 bonds (distance) P-C4' energy: -61.146 flat angles C4'-P-C4' energy: -62.535 flat angles P-C4'-P energy: -31.595 tors. eta vs tors. theta energy: -69.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -455.357272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.357272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.357272 (E_RNA) where: Base-Base interactions energy: -272.729 where: short stacking energy: -121.953 Base-Backbone interact. energy: 3.061 local terms energy: -185.689230 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -45.464 flat angles C4'-P-C4' energy: -45.244 flat angles P-C4'-P energy: -18.634 tors. eta vs tors. theta energy: -13.767 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: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -405.689160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.689160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.689160 (E_RNA) where: Base-Base interactions energy: -211.885 where: short stacking energy: -95.387 Base-Backbone interact. energy: 6.998 local terms energy: -200.802752 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -56.207 flat angles C4'-P-C4' energy: -58.892 flat angles P-C4'-P energy: -18.867 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1227.262386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.262386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.262386 (E_RNA) where: Base-Base interactions energy: -861.604 where: short stacking energy: -343.766 Base-Backbone interact. energy: -1.519 local terms energy: -364.139913 where: bonds (distance) C4'-P energy: -62.659 bonds (distance) P-C4' energy: -71.926 flat angles C4'-P-C4' energy: -74.405 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -103.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1167.074497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.074497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.074497 (E_RNA) where: Base-Base interactions energy: -810.235 where: short stacking energy: -322.485 Base-Backbone interact. energy: -0.904 local terms energy: -355.935161 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -73.955 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -97.250 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: 434 Temperature: 1.000000 Total energy: -1099.297715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.297715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.297715 (E_RNA) where: Base-Base interactions energy: -764.518 where: short stacking energy: -324.713 Base-Backbone interact. energy: -1.841 local terms energy: -332.938660 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -59.515 flat angles C4'-P-C4' energy: -64.574 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -93.850 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: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1062.462277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.462277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.462277 (E_RNA) where: Base-Base interactions energy: -727.056 where: short stacking energy: -305.553 Base-Backbone interact. energy: -1.542 local terms energy: -333.863716 where: bonds (distance) C4'-P energy: -64.604 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -73.206 flat angles P-C4'-P energy: -38.895 tors. eta vs tors. theta energy: -95.597 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: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1059.300745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.300745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.300745 (E_RNA) where: Base-Base interactions energy: -716.749 where: short stacking energy: -286.457 Base-Backbone interact. energy: -0.145 local terms energy: -342.407226 where: bonds (distance) C4'-P energy: -61.883 bonds (distance) P-C4' energy: -69.772 flat angles C4'-P-C4' energy: -64.935 flat angles P-C4'-P energy: -50.487 tors. eta vs tors. theta energy: -95.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -981.707462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.707462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.707462 (E_RNA) where: Base-Base interactions energy: -683.435 where: short stacking energy: -270.433 Base-Backbone interact. energy: 0.341 local terms energy: -298.613953 where: bonds (distance) C4'-P energy: -50.672 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -70.941 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: -74.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -816.832473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.832473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.832473 (E_RNA) where: Base-Base interactions energy: -534.271 where: short stacking energy: -234.970 Base-Backbone interact. energy: 1.759 local terms energy: -284.319664 where: bonds (distance) C4'-P energy: -54.450 bonds (distance) P-C4' energy: -54.808 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -36.446 tors. eta vs tors. theta energy: -68.544 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: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -796.499867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.499867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.499867 (E_RNA) where: Base-Base interactions energy: -527.376 where: short stacking energy: -238.938 Base-Backbone interact. energy: 0.382 local terms energy: -269.505757 where: bonds (distance) C4'-P energy: -44.879 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -72.667 flat angles P-C4'-P energy: -28.468 tors. eta vs tors. theta energy: -63.286 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: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -420.020298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.020298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.020298 (E_RNA) where: Base-Base interactions energy: -229.189 where: short stacking energy: -122.712 Base-Backbone interact. energy: -0.864 local terms energy: -189.966896 where: bonds (distance) C4'-P energy: -66.745 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -48.371 flat angles P-C4'-P energy: -21.698 tors. eta vs tors. theta energy: 3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -387.693912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.693912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.693912 (E_RNA) where: Base-Base interactions energy: -194.541 where: short stacking energy: -98.642 Base-Backbone interact. energy: -1.664 local terms energy: -191.489618 where: bonds (distance) C4'-P energy: -41.984 bonds (distance) P-C4' energy: -65.082 flat angles C4'-P-C4' energy: -43.555 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -4.808 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: 1, replica: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1225.355688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.355688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.355688 (E_RNA) where: Base-Base interactions energy: -858.987 where: short stacking energy: -337.566 Base-Backbone interact. energy: -0.655 local terms energy: -365.713453 where: bonds (distance) C4'-P energy: -63.136 bonds (distance) P-C4' energy: -74.767 flat angles C4'-P-C4' energy: -75.492 flat angles P-C4'-P energy: -44.196 tors. eta vs tors. theta energy: -108.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1154.837980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.837980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.837980 (E_RNA) where: Base-Base interactions energy: -812.970 where: short stacking energy: -330.443 Base-Backbone interact. energy: -2.154 local terms energy: -339.713643 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -50.454 tors. eta vs tors. theta energy: -92.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1107.307051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.307051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.307051 (E_RNA) where: Base-Base interactions energy: -779.649 where: short stacking energy: -327.211 Base-Backbone interact. energy: -1.643 local terms energy: -326.014671 where: bonds (distance) C4'-P energy: -53.875 bonds (distance) P-C4' energy: -54.276 flat angles C4'-P-C4' energy: -70.882 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -100.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1064.620138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.620138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.620138 (E_RNA) where: Base-Base interactions energy: -726.416 where: short stacking energy: -295.966 Base-Backbone interact. energy: -1.066 local terms energy: -337.137583 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -60.235 flat angles C4'-P-C4' energy: -69.555 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -99.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1045.513403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.513403 (E_RNA) where: Base-Base interactions energy: -737.534 where: short stacking energy: -301.643 Base-Backbone interact. energy: -3.468 local terms energy: -304.511592 where: bonds (distance) C4'-P energy: -54.038 bonds (distance) P-C4' energy: -42.313 flat angles C4'-P-C4' energy: -73.320 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: -92.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -957.884454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.884454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.884454 (E_RNA) where: Base-Base interactions energy: -660.002 where: short stacking energy: -247.825 Base-Backbone interact. energy: -0.745 local terms energy: -297.137490 where: bonds (distance) C4'-P energy: -49.685 bonds (distance) P-C4' energy: -58.609 flat angles C4'-P-C4' energy: -68.580 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: -71.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -798.208395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.208395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.208395 (E_RNA) where: Base-Base interactions energy: -522.269 where: short stacking energy: -236.255 Base-Backbone interact. energy: 0.045 local terms energy: -275.984429 where: bonds (distance) C4'-P energy: -42.954 bonds (distance) P-C4' energy: -70.259 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -30.909 tors. eta vs tors. theta energy: -67.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -795.079067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.079067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.079067 (E_RNA) where: Base-Base interactions energy: -520.947 where: short stacking energy: -220.124 Base-Backbone interact. energy: 0.068 local terms energy: -274.200195 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -54.996 flat angles P-C4'-P energy: -37.317 tors. eta vs tors. theta energy: -61.848 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: 435 Temperature: 1.300000 Total energy: -456.770753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.770753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.770753 (E_RNA) where: Base-Base interactions energy: -254.349 where: short stacking energy: -133.886 Base-Backbone interact. energy: -0.352 local terms energy: -202.069812 where: bonds (distance) C4'-P energy: -53.967 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -52.156 flat angles P-C4'-P energy: -30.932 tors. eta vs tors. theta energy: -2.850 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: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -381.582253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.582253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.582253 (E_RNA) where: Base-Base interactions energy: -189.409 where: short stacking energy: -111.381 Base-Backbone interact. energy: -1.867 local terms energy: -190.306826 where: bonds (distance) C4'-P energy: -40.703 bonds (distance) P-C4' energy: -59.340 flat angles C4'-P-C4' energy: -54.251 flat angles P-C4'-P energy: -31.887 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1214.774393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.774393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.774393 (E_RNA) where: Base-Base interactions energy: -863.166 where: short stacking energy: -336.142 Base-Backbone interact. energy: 0.650 local terms energy: -352.259067 where: bonds (distance) C4'-P energy: -68.555 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -66.213 flat angles P-C4'-P energy: -47.382 tors. eta vs tors. theta energy: -101.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1143.843980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.843980 (E_RNA) where: Base-Base interactions energy: -788.422 where: short stacking energy: -310.668 Base-Backbone interact. energy: -2.073 local terms energy: -353.348536 where: bonds (distance) C4'-P energy: -79.113 bonds (distance) P-C4' energy: -65.705 flat angles C4'-P-C4' energy: -68.634 flat angles P-C4'-P energy: -53.993 tors. eta vs tors. theta energy: -85.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1120.737315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.737315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.737315 (E_RNA) where: Base-Base interactions energy: -772.833 where: short stacking energy: -331.851 Base-Backbone interact. energy: 0.561 local terms energy: -348.465246 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -98.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1053.012146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.012146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.012146 (E_RNA) where: Base-Base interactions energy: -707.006 where: short stacking energy: -301.140 Base-Backbone interact. energy: -0.753 local terms energy: -345.253094 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -67.923 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -92.659 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: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1045.466851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.466851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.466851 (E_RNA) where: Base-Base interactions energy: -724.837 where: short stacking energy: -300.039 Base-Backbone interact. energy: -0.572 local terms energy: -320.057958 where: bonds (distance) C4'-P energy: -67.303 bonds (distance) P-C4' energy: -59.900 flat angles C4'-P-C4' energy: -58.774 flat angles P-C4'-P energy: -39.515 tors. eta vs tors. theta energy: -94.565 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: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -971.332183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.332183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.332183 (E_RNA) where: Base-Base interactions energy: -670.098 where: short stacking energy: -262.250 Base-Backbone interact. energy: -0.008 local terms energy: -301.226288 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -68.817 flat angles C4'-P-C4' energy: -57.822 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -75.100 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: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -825.436749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.436749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.436749 (E_RNA) where: Base-Base interactions energy: -549.892 where: short stacking energy: -252.788 Base-Backbone interact. energy: -1.410 local terms energy: -274.135420 where: bonds (distance) C4'-P energy: -50.669 bonds (distance) P-C4' energy: -41.627 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -49.564 tors. eta vs tors. theta energy: -63.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -772.571177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.571177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.571177 (E_RNA) where: Base-Base interactions energy: -500.088 where: short stacking energy: -214.693 Base-Backbone interact. energy: -1.523 local terms energy: -270.960881 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -52.266 flat angles C4'-P-C4' energy: -58.682 flat angles P-C4'-P energy: -33.436 tors. eta vs tors. theta energy: -64.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -397.903524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.903524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.903524 (E_RNA) where: Base-Base interactions energy: -179.478 where: short stacking energy: -101.128 Base-Backbone interact. energy: -1.281 local terms energy: -217.144123 where: bonds (distance) C4'-P energy: -68.329 bonds (distance) P-C4' energy: -65.594 flat angles C4'-P-C4' energy: -52.922 flat angles P-C4'-P energy: -29.610 tors. eta vs tors. theta energy: -0.689 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: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -384.728285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.728285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.728285 (E_RNA) where: Base-Base interactions energy: -190.960 where: short stacking energy: -102.484 Base-Backbone interact. energy: -0.341 local terms energy: -193.426928 where: bonds (distance) C4'-P energy: -59.576 bonds (distance) P-C4' energy: -52.041 flat angles C4'-P-C4' energy: -51.645 flat angles P-C4'-P energy: -26.236 tors. eta vs tors. theta energy: -3.929 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: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1211.516287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.516287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.516287 (E_RNA) where: Base-Base interactions energy: -862.229 where: short stacking energy: -334.277 Base-Backbone interact. energy: -4.109 local terms energy: -345.178141 where: bonds (distance) C4'-P energy: -58.258 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -69.765 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -101.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1155.205428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.205428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.205428 (E_RNA) where: Base-Base interactions energy: -803.274 where: short stacking energy: -328.992 Base-Backbone interact. energy: 1.901 local terms energy: -353.832587 where: bonds (distance) C4'-P energy: -62.817 bonds (distance) P-C4' energy: -73.784 flat angles C4'-P-C4' energy: -73.288 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -94.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1104.853294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.853294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.853294 (E_RNA) where: Base-Base interactions energy: -757.424 where: short stacking energy: -319.526 Base-Backbone interact. energy: -1.957 local terms energy: -345.472354 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -59.206 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -100.343 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: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1081.860141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.860141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.860141 (E_RNA) where: Base-Base interactions energy: -740.700 where: short stacking energy: -309.674 Base-Backbone interact. energy: -2.941 local terms energy: -338.219477 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -60.740 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -48.080 tors. eta vs tors. theta energy: -96.897 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: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1018.912383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.912383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.912383 (E_RNA) where: Base-Base interactions energy: -728.935 where: short stacking energy: -286.131 Base-Backbone interact. energy: 0.483 local terms energy: -290.460630 where: bonds (distance) C4'-P energy: -56.033 bonds (distance) P-C4' energy: -51.578 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -78.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -939.516105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.516105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.516105 (E_RNA) where: Base-Base interactions energy: -646.877 where: short stacking energy: -250.609 Base-Backbone interact. energy: -3.914 local terms energy: -288.725339 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -62.633 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -61.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -843.010981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.010981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.010981 (E_RNA) where: Base-Base interactions energy: -551.240 where: short stacking energy: -245.655 Base-Backbone interact. energy: -1.465 local terms energy: -290.305626 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -66.737 flat angles P-C4'-P energy: -32.971 tors. eta vs tors. theta energy: -60.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -750.883458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.883458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.883458 (E_RNA) where: Base-Base interactions energy: -491.891 where: short stacking energy: -209.452 Base-Backbone interact. energy: -0.378 local terms energy: -258.614005 where: bonds (distance) C4'-P energy: -46.500 bonds (distance) P-C4' energy: -59.609 flat angles C4'-P-C4' energy: -59.782 flat angles P-C4'-P energy: -35.947 tors. eta vs tors. theta energy: -56.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -404.584996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.584996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.584996 (E_RNA) where: Base-Base interactions energy: -203.908 where: short stacking energy: -123.450 Base-Backbone interact. energy: 0.072 local terms energy: -200.748879 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -63.240 flat angles C4'-P-C4' energy: -53.453 flat angles P-C4'-P energy: -22.815 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -401.354364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.354364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.354364 (E_RNA) where: Base-Base interactions energy: -196.828 where: short stacking energy: -107.853 Base-Backbone interact. energy: -0.877 local terms energy: -203.649181 where: bonds (distance) C4'-P energy: -46.412 bonds (distance) P-C4' energy: -59.267 flat angles C4'-P-C4' energy: -44.763 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: -14.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1225.705115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.705115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.705115 (E_RNA) where: Base-Base interactions energy: -868.475 where: short stacking energy: -336.162 Base-Backbone interact. energy: -2.595 local terms energy: -354.634733 where: bonds (distance) C4'-P energy: -64.790 bonds (distance) P-C4' energy: -68.228 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -49.605 tors. eta vs tors. theta energy: -98.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1169.992692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.992692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.992692 (E_RNA) where: Base-Base interactions energy: -824.988 where: short stacking energy: -335.395 Base-Backbone interact. energy: -2.899 local terms energy: -342.106018 where: bonds (distance) C4'-P energy: -59.606 bonds (distance) P-C4' energy: -64.584 flat angles C4'-P-C4' energy: -66.602 flat angles P-C4'-P energy: -50.135 tors. eta vs tors. theta energy: -101.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1097.865967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.865967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.865967 (E_RNA) where: Base-Base interactions energy: -754.751 where: short stacking energy: -309.488 Base-Backbone interact. energy: -1.687 local terms energy: -341.428294 where: bonds (distance) C4'-P energy: -59.580 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -90.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1082.371935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.371935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.371935 (E_RNA) where: Base-Base interactions energy: -759.295 where: short stacking energy: -300.843 Base-Backbone interact. energy: -0.793 local terms energy: -322.284187 where: bonds (distance) C4'-P energy: -55.487 bonds (distance) P-C4' energy: -58.452 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -87.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1035.898585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.898585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.898585 (E_RNA) where: Base-Base interactions energy: -710.912 where: short stacking energy: -272.404 Base-Backbone interact. energy: -1.922 local terms energy: -323.064735 where: bonds (distance) C4'-P energy: -49.155 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -50.881 tors. eta vs tors. theta energy: -82.672 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -949.357523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.357523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.357523 (E_RNA) where: Base-Base interactions energy: -663.793 where: short stacking energy: -252.462 Base-Backbone interact. energy: -0.262 local terms energy: -285.303204 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -57.824 flat angles P-C4'-P energy: -45.846 tors. eta vs tors. theta energy: -75.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -852.357903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.357903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.357903 (E_RNA) where: Base-Base interactions energy: -565.433 where: short stacking energy: -255.146 Base-Backbone interact. energy: -0.726 local terms energy: -286.198005 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -47.580 flat angles C4'-P-C4' energy: -70.905 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -71.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -760.344507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.344507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.344507 (E_RNA) where: Base-Base interactions energy: -496.143 where: short stacking energy: -214.597 Base-Backbone interact. energy: 1.542 local terms energy: -265.743124 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -59.995 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -30.986 tors. eta vs tors. theta energy: -55.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -409.679271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.679271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.679271 (E_RNA) where: Base-Base interactions energy: -207.511 where: short stacking energy: -114.037 Base-Backbone interact. energy: 0.235 local terms energy: -202.403201 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -55.276 flat angles C4'-P-C4' energy: -50.043 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -390.970951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.970951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.970951 (E_RNA) where: Base-Base interactions energy: -192.853 where: short stacking energy: -109.986 Base-Backbone interact. energy: -0.455 local terms energy: -197.663046 where: bonds (distance) C4'-P energy: -51.641 bonds (distance) P-C4' energy: -61.554 flat angles C4'-P-C4' energy: -61.837 flat angles P-C4'-P energy: -19.569 tors. eta vs tors. theta energy: -3.063 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: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1229.707301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.707301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.707301 (E_RNA) where: Base-Base interactions energy: -875.726 where: short stacking energy: -347.294 Base-Backbone interact. energy: -2.915 local terms energy: -351.066186 where: bonds (distance) C4'-P energy: -65.263 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -101.246 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: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1168.282862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.282862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.282862 (E_RNA) where: Base-Base interactions energy: -825.065 where: short stacking energy: -317.490 Base-Backbone interact. energy: -2.915 local terms energy: -340.302504 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -61.930 flat angles C4'-P-C4' energy: -67.292 flat angles P-C4'-P energy: -53.415 tors. eta vs tors. theta energy: -96.310 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: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1101.004468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.004468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.004468 (E_RNA) where: Base-Base interactions energy: -756.092 where: short stacking energy: -323.184 Base-Backbone interact. energy: -2.353 local terms energy: -342.559588 where: bonds (distance) C4'-P energy: -60.199 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -68.046 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -96.621 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: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1102.034440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.034440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.034440 (E_RNA) where: Base-Base interactions energy: -763.870 where: short stacking energy: -313.151 Base-Backbone interact. energy: -0.711 local terms energy: -337.454110 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -51.222 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -48.055 tors. eta vs tors. theta energy: -98.869 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: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1019.390249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.390249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.390249 (E_RNA) where: Base-Base interactions energy: -706.141 where: short stacking energy: -297.622 Base-Backbone interact. energy: -2.572 local terms energy: -310.677481 where: bonds (distance) C4'-P energy: -57.411 bonds (distance) P-C4' energy: -62.754 flat angles C4'-P-C4' energy: -63.085 flat angles P-C4'-P energy: -34.913 tors. eta vs tors. theta energy: -92.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -954.956220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.956220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.956220 (E_RNA) where: Base-Base interactions energy: -668.287 where: short stacking energy: -266.132 Base-Backbone interact. energy: -0.449 local terms energy: -286.220799 where: bonds (distance) C4'-P energy: -56.401 bonds (distance) P-C4' energy: -55.548 flat angles C4'-P-C4' energy: -55.783 flat angles P-C4'-P energy: -47.107 tors. eta vs tors. theta energy: -71.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -790.658052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.658052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.658052 (E_RNA) where: Base-Base interactions energy: -517.715 where: short stacking energy: -219.251 Base-Backbone interact. energy: 0.941 local terms energy: -273.884285 where: bonds (distance) C4'-P energy: -43.363 bonds (distance) P-C4' energy: -57.985 flat angles C4'-P-C4' energy: -71.100 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -59.746 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -729.996885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.996885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.996885 (E_RNA) where: Base-Base interactions energy: -483.752 where: short stacking energy: -218.607 Base-Backbone interact. energy: 0.859 local terms energy: -247.103811 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -52.860 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -39.759 tors. eta vs tors. theta energy: -46.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -397.952181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.952181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.952181 (E_RNA) where: Base-Base interactions energy: -213.700 where: short stacking energy: -117.424 Base-Backbone interact. energy: 5.585 local terms energy: -189.837219 where: bonds (distance) C4'-P energy: -33.737 bonds (distance) P-C4' energy: -65.765 flat angles C4'-P-C4' energy: -41.570 flat angles P-C4'-P energy: -28.824 tors. eta vs tors. theta energy: -19.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -363.305001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.305001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.305001 (E_RNA) where: Base-Base interactions energy: -175.486 where: short stacking energy: -99.187 Base-Backbone interact. energy: -0.917 local terms energy: -186.901317 where: bonds (distance) C4'-P energy: -62.549 bonds (distance) P-C4' energy: -59.530 flat angles C4'-P-C4' energy: -37.471 flat angles P-C4'-P energy: -23.854 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1237.742270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.742270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.742270 (E_RNA) where: Base-Base interactions energy: -870.881 where: short stacking energy: -340.170 Base-Backbone interact. energy: -0.923 local terms energy: -365.938096 where: bonds (distance) C4'-P energy: -61.754 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -80.972 flat angles P-C4'-P energy: -53.914 tors. eta vs tors. theta energy: -101.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1172.539439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.539439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.539439 (E_RNA) where: Base-Base interactions energy: -812.924 where: short stacking energy: -327.530 Base-Backbone interact. energy: -4.214 local terms energy: -355.402066 where: bonds (distance) C4'-P energy: -76.424 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -70.823 flat angles P-C4'-P energy: -47.329 tors. eta vs tors. theta energy: -97.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1108.346171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.346171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.346171 (E_RNA) where: Base-Base interactions energy: -777.188 where: short stacking energy: -324.497 Base-Backbone interact. energy: -2.088 local terms energy: -329.069637 where: bonds (distance) C4'-P energy: -49.146 bonds (distance) P-C4' energy: -64.252 flat angles C4'-P-C4' energy: -65.626 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -100.795 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: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1048.915681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.915681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.915681 (E_RNA) where: Base-Base interactions energy: -721.022 where: short stacking energy: -307.850 Base-Backbone interact. energy: -1.574 local terms energy: -326.320038 where: bonds (distance) C4'-P energy: -51.459 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -73.206 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -91.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1024.120788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.120788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.120788 (E_RNA) where: Base-Base interactions energy: -697.452 where: short stacking energy: -271.961 Base-Backbone interact. energy: -0.996 local terms energy: -325.672902 where: bonds (distance) C4'-P energy: -60.242 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -70.138 flat angles P-C4'-P energy: -52.080 tors. eta vs tors. theta energy: -83.538 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: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -956.500446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.500446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.500446 (E_RNA) where: Base-Base interactions energy: -665.511 where: short stacking energy: -272.426 Base-Backbone interact. energy: -0.574 local terms energy: -290.415295 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -70.330 flat angles P-C4'-P energy: -37.741 tors. eta vs tors. theta energy: -71.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -830.403664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.403664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.403664 (E_RNA) where: Base-Base interactions energy: -557.337 where: short stacking energy: -251.704 Base-Backbone interact. energy: 1.573 local terms energy: -274.639182 where: bonds (distance) C4'-P energy: -51.440 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -60.918 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -65.985 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: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -746.811547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.811547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.811547 (E_RNA) where: Base-Base interactions energy: -502.846 where: short stacking energy: -194.253 Base-Backbone interact. energy: -0.817 local terms energy: -243.148693 where: bonds (distance) C4'-P energy: -62.937 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -60.511 flat angles P-C4'-P energy: -23.893 tors. eta vs tors. theta energy: -35.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -397.686678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.686678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.686678 (E_RNA) where: Base-Base interactions energy: -201.441 where: short stacking energy: -112.727 Base-Backbone interact. energy: 0.195 local terms energy: -196.440670 where: bonds (distance) C4'-P energy: -46.761 bonds (distance) P-C4' energy: -65.063 flat angles C4'-P-C4' energy: -51.103 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: 1.985 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: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -386.130531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.130531 (E_RNA) where: Base-Base interactions energy: -190.094 where: short stacking energy: -109.928 Base-Backbone interact. energy: 0.857 local terms energy: -196.893886 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -53.097 flat angles C4'-P-C4' energy: -51.860 flat angles P-C4'-P energy: -24.565 tors. eta vs tors. theta energy: -12.144 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: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1225.240130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.240130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.240130 (E_RNA) where: Base-Base interactions energy: -868.639 where: short stacking energy: -337.782 Base-Backbone interact. energy: -1.590 local terms energy: -355.010738 where: bonds (distance) C4'-P energy: -54.653 bonds (distance) P-C4' energy: -74.024 flat angles C4'-P-C4' energy: -75.115 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -101.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1174.009582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.009582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.009582 (E_RNA) where: Base-Base interactions energy: -825.730 where: short stacking energy: -329.310 Base-Backbone interact. energy: -0.144 local terms energy: -348.135881 where: bonds (distance) C4'-P energy: -63.494 bonds (distance) P-C4' energy: -65.920 flat angles C4'-P-C4' energy: -72.646 flat angles P-C4'-P energy: -46.845 tors. eta vs tors. theta energy: -99.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1108.717050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.717050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.717050 (E_RNA) where: Base-Base interactions energy: -782.631 where: short stacking energy: -322.981 Base-Backbone interact. energy: -0.186 local terms energy: -325.900070 where: bonds (distance) C4'-P energy: -63.629 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -70.557 flat angles P-C4'-P energy: -35.884 tors. eta vs tors. theta energy: -93.506 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: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1105.989131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.989131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.989131 (E_RNA) where: Base-Base interactions energy: -753.709 where: short stacking energy: -305.037 Base-Backbone interact. energy: -0.740 local terms energy: -351.540373 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -69.170 flat angles C4'-P-C4' energy: -73.873 flat angles P-C4'-P energy: -52.853 tors. eta vs tors. theta energy: -89.391 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: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1023.315437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.315437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.315437 (E_RNA) where: Base-Base interactions energy: -694.230 where: short stacking energy: -279.414 Base-Backbone interact. energy: -1.146 local terms energy: -327.938734 where: bonds (distance) C4'-P energy: -58.169 bonds (distance) P-C4' energy: -72.001 flat angles C4'-P-C4' energy: -70.321 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -84.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -948.946789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.946789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.946789 (E_RNA) where: Base-Base interactions energy: -650.054 where: short stacking energy: -265.369 Base-Backbone interact. energy: -1.200 local terms energy: -297.693442 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -39.788 tors. eta vs tors. theta energy: -77.248 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -807.128004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.128004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.128004 (E_RNA) where: Base-Base interactions energy: -524.752 where: short stacking energy: -230.868 Base-Backbone interact. energy: -1.958 local terms energy: -280.417971 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -45.491 flat angles C4'-P-C4' energy: -63.587 flat angles P-C4'-P energy: -46.365 tors. eta vs tors. theta energy: -69.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -768.739365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.739365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.739365 (E_RNA) where: Base-Base interactions energy: -520.054 where: short stacking energy: -204.071 Base-Backbone interact. energy: 0.707 local terms energy: -249.392650 where: bonds (distance) C4'-P energy: -54.971 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -58.322 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -40.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -401.989681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.989681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.989681 (E_RNA) where: Base-Base interactions energy: -207.308 where: short stacking energy: -108.588 Base-Backbone interact. energy: 1.201 local terms energy: -195.883111 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -61.007 flat angles C4'-P-C4' energy: -45.838 flat angles P-C4'-P energy: -32.192 tors. eta vs tors. theta energy: -5.850 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: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -405.263944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.263944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.263944 (E_RNA) where: Base-Base interactions energy: -202.723 where: short stacking energy: -109.094 Base-Backbone interact. energy: 0.396 local terms energy: -202.936795 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -44.498 flat angles P-C4'-P energy: -27.564 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1220.585420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.585420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.585420 (E_RNA) where: Base-Base interactions energy: -860.908 where: short stacking energy: -349.037 Base-Backbone interact. energy: -2.506 local terms energy: -357.171347 where: bonds (distance) C4'-P energy: -67.486 bonds (distance) P-C4' energy: -67.742 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -48.699 tors. eta vs tors. theta energy: -99.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1177.525009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.525009 (E_RNA) where: Base-Base interactions energy: -818.440 where: short stacking energy: -332.196 Base-Backbone interact. energy: -2.717 local terms energy: -356.367842 where: bonds (distance) C4'-P energy: -68.413 bonds (distance) P-C4' energy: -66.267 flat angles C4'-P-C4' energy: -67.453 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -98.119 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: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1149.876493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.876493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.876493 (E_RNA) where: Base-Base interactions energy: -803.280 where: short stacking energy: -325.267 Base-Backbone interact. energy: -0.458 local terms energy: -346.138110 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -67.660 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: -107.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1078.998996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.998996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.998996 (E_RNA) where: Base-Base interactions energy: -737.776 where: short stacking energy: -298.569 Base-Backbone interact. energy: -1.890 local terms energy: -339.332958 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -72.229 flat angles C4'-P-C4' energy: -67.397 flat angles P-C4'-P energy: -52.907 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: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1053.939813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.939813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.939813 (E_RNA) where: Base-Base interactions energy: -734.734 where: short stacking energy: -294.732 Base-Backbone interact. energy: -1.132 local terms energy: -318.074257 where: bonds (distance) C4'-P energy: -60.587 bonds (distance) P-C4' energy: -52.381 flat angles C4'-P-C4' energy: -68.944 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -90.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -964.465266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.465266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.465266 (E_RNA) where: Base-Base interactions energy: -667.418 where: short stacking energy: -272.127 Base-Backbone interact. energy: -1.881 local terms energy: -295.165504 where: bonds (distance) C4'-P energy: -60.761 bonds (distance) P-C4' energy: -57.520 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -35.127 tors. eta vs tors. theta energy: -74.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -813.997402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.997402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.997402 (E_RNA) where: Base-Base interactions energy: -537.697 where: short stacking energy: -238.949 Base-Backbone interact. energy: 0.548 local terms energy: -276.848618 where: bonds (distance) C4'-P energy: -57.375 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -62.468 flat angles P-C4'-P energy: -38.497 tors. eta vs tors. theta energy: -69.103 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: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -751.352319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.352319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.352319 (E_RNA) where: Base-Base interactions energy: -479.525 where: short stacking energy: -210.415 Base-Backbone interact. energy: -1.248 local terms energy: -270.579083 where: bonds (distance) C4'-P energy: -46.259 bonds (distance) P-C4' energy: -64.701 flat angles C4'-P-C4' energy: -56.687 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -60.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -414.237961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.237961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.237961 (E_RNA) where: Base-Base interactions energy: -203.350 where: short stacking energy: -107.742 Base-Backbone interact. energy: 1.047 local terms energy: -211.935054 where: bonds (distance) C4'-P energy: -69.214 bonds (distance) P-C4' energy: -59.447 flat angles C4'-P-C4' energy: -54.095 flat angles P-C4'-P energy: -28.502 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -370.584211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.584211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.584211 (E_RNA) where: Base-Base interactions energy: -174.975 where: short stacking energy: -115.765 Base-Backbone interact. energy: -0.982 local terms energy: -194.627454 where: bonds (distance) C4'-P energy: -58.472 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -38.679 flat angles P-C4'-P energy: -20.635 tors. eta vs tors. theta energy: -10.148 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: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1226.449394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.449394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.449394 (E_RNA) where: Base-Base interactions energy: -876.272 where: short stacking energy: -358.429 Base-Backbone interact. energy: 0.441 local terms energy: -350.619154 where: bonds (distance) C4'-P energy: -64.451 bonds (distance) P-C4' energy: -70.751 flat angles C4'-P-C4' energy: -67.239 flat angles P-C4'-P energy: -42.884 tors. eta vs tors. theta energy: -105.294 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: 443 Temperature: 0.950000 Total energy: -1173.262005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.262005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.262005 (E_RNA) where: Base-Base interactions energy: -805.664 where: short stacking energy: -333.444 Base-Backbone interact. energy: 1.755 local terms energy: -369.353229 where: bonds (distance) C4'-P energy: -67.876 bonds (distance) P-C4' energy: -69.667 flat angles C4'-P-C4' energy: -81.270 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -97.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1143.764850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.764850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.764850 (E_RNA) where: Base-Base interactions energy: -807.493 where: short stacking energy: -329.215 Base-Backbone interact. energy: -0.106 local terms energy: -336.165629 where: bonds (distance) C4'-P energy: -60.520 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -71.618 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -99.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1064.166841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.166841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.166841 (E_RNA) where: Base-Base interactions energy: -725.813 where: short stacking energy: -305.307 Base-Backbone interact. energy: -0.582 local terms energy: -337.771721 where: bonds (distance) C4'-P energy: -63.255 bonds (distance) P-C4' energy: -52.707 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -98.759 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: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1039.183349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.183349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.183349 (E_RNA) where: Base-Base interactions energy: -704.181 where: short stacking energy: -303.816 Base-Backbone interact. energy: 1.094 local terms energy: -336.096072 where: bonds (distance) C4'-P energy: -62.087 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -77.291 flat angles P-C4'-P energy: -42.143 tors. eta vs tors. theta energy: -91.782 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: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -953.463025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.463025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.463025 (E_RNA) where: Base-Base interactions energy: -645.509 where: short stacking energy: -267.476 Base-Backbone interact. energy: -0.766 local terms energy: -307.187708 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -56.781 flat angles C4'-P-C4' energy: -67.503 flat angles P-C4'-P energy: -42.475 tors. eta vs tors. theta energy: -78.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -849.558418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.558418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.558418 (E_RNA) where: Base-Base interactions energy: -562.320 where: short stacking energy: -246.362 Base-Backbone interact. energy: 1.959 local terms energy: -289.197746 where: bonds (distance) C4'-P energy: -63.266 bonds (distance) P-C4' energy: -44.882 flat angles C4'-P-C4' energy: -58.026 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -74.367 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: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -788.370723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.370723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.370723 (E_RNA) where: Base-Base interactions energy: -500.037 where: short stacking energy: -208.232 Base-Backbone interact. energy: 0.183 local terms energy: -288.516778 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -54.172 flat angles C4'-P-C4' energy: -57.131 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -60.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -424.593330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.593330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.593330 (E_RNA) where: Base-Base interactions energy: -244.974 where: short stacking energy: -145.503 Base-Backbone interact. energy: -2.323 local terms energy: -177.296823 where: bonds (distance) C4'-P energy: -44.117 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -43.258 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -375.272301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.272301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.272301 (E_RNA) where: Base-Base interactions energy: -173.962 where: short stacking energy: -91.587 Base-Backbone interact. energy: -0.397 local terms energy: -200.913162 where: bonds (distance) C4'-P energy: -60.300 bonds (distance) P-C4' energy: -57.278 flat angles C4'-P-C4' energy: -51.121 flat angles P-C4'-P energy: -28.918 tors. eta vs tors. theta energy: -3.296 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: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1232.484188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.484188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.484188 (E_RNA) where: Base-Base interactions energy: -887.913 where: short stacking energy: -352.307 Base-Backbone interact. energy: -1.433 local terms energy: -343.137770 where: bonds (distance) C4'-P energy: -61.844 bonds (distance) P-C4' energy: -55.375 flat angles C4'-P-C4' energy: -77.813 flat angles P-C4'-P energy: -45.447 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: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1203.780797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.780797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.780797 (E_RNA) where: Base-Base interactions energy: -842.431 where: short stacking energy: -353.871 Base-Backbone interact. energy: -0.976 local terms energy: -360.374012 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -64.413 flat angles C4'-P-C4' energy: -72.878 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -102.092 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1136.793336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.793336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.793336 (E_RNA) where: Base-Base interactions energy: -803.646 where: short stacking energy: -323.448 Base-Backbone interact. energy: -0.919 local terms energy: -332.228649 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -68.910 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -94.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1052.148356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.148356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.148356 (E_RNA) where: Base-Base interactions energy: -732.900 where: short stacking energy: -306.544 Base-Backbone interact. energy: 0.939 local terms energy: -320.186624 where: bonds (distance) C4'-P energy: -51.199 bonds (distance) P-C4' energy: -64.812 flat angles C4'-P-C4' energy: -69.339 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -91.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -982.446356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.446356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.446356 (E_RNA) where: Base-Base interactions energy: -676.253 where: short stacking energy: -301.340 Base-Backbone interact. energy: -0.289 local terms energy: -305.904878 where: bonds (distance) C4'-P energy: -46.009 bonds (distance) P-C4' energy: -53.524 flat angles C4'-P-C4' energy: -73.293 flat angles P-C4'-P energy: -50.719 tors. eta vs tors. theta energy: -82.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -986.336246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.336246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.336246 (E_RNA) where: Base-Base interactions energy: -674.083 where: short stacking energy: -284.782 Base-Backbone interact. energy: -1.651 local terms energy: -310.602138 where: bonds (distance) C4'-P energy: -50.928 bonds (distance) P-C4' energy: -56.575 flat angles C4'-P-C4' energy: -72.352 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: -87.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -873.774545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.774545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.774545 (E_RNA) where: Base-Base interactions energy: -564.774 where: short stacking energy: -259.124 Base-Backbone interact. energy: -1.416 local terms energy: -307.584941 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -57.546 flat angles C4'-P-C4' energy: -69.926 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: -78.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -802.956471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.956471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.956471 (E_RNA) where: Base-Base interactions energy: -526.166 where: short stacking energy: -217.442 Base-Backbone interact. energy: -1.315 local terms energy: -275.475571 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -56.790 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -34.135 tors. eta vs tors. theta energy: -55.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -400.007906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.007906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.007906 (E_RNA) where: Base-Base interactions energy: -206.944 where: short stacking energy: -117.990 Base-Backbone interact. energy: 3.498 local terms energy: -196.561721 where: bonds (distance) C4'-P energy: -45.360 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -52.944 flat angles P-C4'-P energy: -38.148 tors. eta vs tors. theta energy: -7.768 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: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -374.318823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.318823 (E_RNA) where: Base-Base interactions energy: -182.414 where: short stacking energy: -105.095 Base-Backbone interact. energy: -2.292 local terms energy: -189.613107 where: bonds (distance) C4'-P energy: -51.631 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -58.095 flat angles P-C4'-P energy: -17.838 tors. eta vs tors. theta energy: -5.170 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: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1230.980002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.980002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.980002 (E_RNA) where: Base-Base interactions energy: -875.951 where: short stacking energy: -350.286 Base-Backbone interact. energy: -0.478 local terms energy: -354.550491 where: bonds (distance) C4'-P energy: -69.876 bonds (distance) P-C4' energy: -70.139 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -45.490 tors. eta vs tors. theta energy: -102.140 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: 445 Temperature: 0.950000 Total energy: -1189.203293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.203293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.203293 (E_RNA) where: Base-Base interactions energy: -838.301 where: short stacking energy: -339.897 Base-Backbone interact. energy: 0.244 local terms energy: -351.146466 where: bonds (distance) C4'-P energy: -67.742 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -69.672 flat angles P-C4'-P energy: -49.289 tors. eta vs tors. theta energy: -101.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1162.315802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.315802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.315802 (E_RNA) where: Base-Base interactions energy: -814.247 where: short stacking energy: -321.504 Base-Backbone interact. energy: -2.612 local terms energy: -345.456822 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -75.802 flat angles C4'-P-C4' energy: -68.448 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -89.165 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: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1056.118176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.118176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.118176 (E_RNA) where: Base-Base interactions energy: -740.001 where: short stacking energy: -302.809 Base-Backbone interact. energy: -1.728 local terms energy: -314.388845 where: bonds (distance) C4'-P energy: -41.860 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -70.813 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -94.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1000.562796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.562796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.562796 (E_RNA) where: Base-Base interactions energy: -686.462 where: short stacking energy: -286.360 Base-Backbone interact. energy: -0.364 local terms energy: -313.737369 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -54.912 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -35.403 tors. eta vs tors. theta energy: -89.220 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: 445 Temperature: 1.150000 Total energy: -992.948778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.948778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.948778 (E_RNA) where: Base-Base interactions energy: -689.297 where: short stacking energy: -291.112 Base-Backbone interact. energy: -0.698 local terms energy: -302.953612 where: bonds (distance) C4'-P energy: -65.063 bonds (distance) P-C4' energy: -51.764 flat angles C4'-P-C4' energy: -60.454 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -82.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -808.359725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.359725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.359725 (E_RNA) where: Base-Base interactions energy: -536.538 where: short stacking energy: -229.012 Base-Backbone interact. energy: -0.792 local terms energy: -271.030321 where: bonds (distance) C4'-P energy: -57.300 bonds (distance) P-C4' energy: -61.454 flat angles C4'-P-C4' energy: -69.628 flat angles P-C4'-P energy: -27.804 tors. eta vs tors. theta energy: -54.843 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: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -784.539674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.539674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.539674 (E_RNA) where: Base-Base interactions energy: -512.862 where: short stacking energy: -237.206 Base-Backbone interact. energy: -0.361 local terms energy: -271.317167 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -57.941 flat angles P-C4'-P energy: -43.916 tors. eta vs tors. theta energy: -51.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -405.952667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.952667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.952667 (E_RNA) where: Base-Base interactions energy: -206.936 where: short stacking energy: -112.553 Base-Backbone interact. energy: -1.899 local terms energy: -197.117516 where: bonds (distance) C4'-P energy: -57.706 bonds (distance) P-C4' energy: -57.623 flat angles C4'-P-C4' energy: -44.246 flat angles P-C4'-P energy: -28.945 tors. eta vs tors. theta energy: -8.598 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: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -378.662824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.662824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.662824 (E_RNA) where: Base-Base interactions energy: -177.114 where: short stacking energy: -100.195 Base-Backbone interact. energy: -0.981 local terms energy: -200.567190 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -53.899 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -9.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1225.775090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.775090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.775090 (E_RNA) where: Base-Base interactions energy: -876.464 where: short stacking energy: -339.086 Base-Backbone interact. energy: -2.929 local terms energy: -346.382475 where: bonds (distance) C4'-P energy: -71.556 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -69.561 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -101.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1156.625228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.625228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.625228 (E_RNA) where: Base-Base interactions energy: -820.647 where: short stacking energy: -347.709 Base-Backbone interact. energy: -0.735 local terms energy: -335.242481 where: bonds (distance) C4'-P energy: -57.174 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -74.995 flat angles P-C4'-P energy: -40.031 tors. eta vs tors. theta energy: -102.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1166.122682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.122682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.122682 (E_RNA) where: Base-Base interactions energy: -827.790 where: short stacking energy: -320.844 Base-Backbone interact. energy: -0.829 local terms energy: -337.503545 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -69.031 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -46.415 tors. eta vs tors. theta energy: -93.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1090.246024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.246024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.246024 (E_RNA) where: Base-Base interactions energy: -777.535 where: short stacking energy: -297.562 Base-Backbone interact. energy: -0.701 local terms energy: -312.010733 where: bonds (distance) C4'-P energy: -65.332 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -60.740 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -78.121 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: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -981.506905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.506905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.506905 (E_RNA) where: Base-Base interactions energy: -678.906 where: short stacking energy: -251.495 Base-Backbone interact. energy: -0.125 local terms energy: -302.476640 where: bonds (distance) C4'-P energy: -52.773 bonds (distance) P-C4' energy: -65.680 flat angles C4'-P-C4' energy: -69.021 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -70.922 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: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -994.739869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.739869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.739869 (E_RNA) where: Base-Base interactions energy: -683.310 where: short stacking energy: -271.808 Base-Backbone interact. energy: 1.365 local terms energy: -312.794991 where: bonds (distance) C4'-P energy: -54.546 bonds (distance) P-C4' energy: -66.657 flat angles C4'-P-C4' energy: -67.066 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -85.713 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: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -809.889423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.889423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.889423 (E_RNA) where: Base-Base interactions energy: -551.397 where: short stacking energy: -232.024 Base-Backbone interact. energy: -0.031 local terms energy: -258.460929 where: bonds (distance) C4'-P energy: -54.055 bonds (distance) P-C4' energy: -52.503 flat angles C4'-P-C4' energy: -59.197 flat angles P-C4'-P energy: -37.617 tors. eta vs tors. theta energy: -55.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -752.090917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.090917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.090917 (E_RNA) where: Base-Base interactions energy: -486.533 where: short stacking energy: -207.225 Base-Backbone interact. energy: -2.211 local terms energy: -263.346890 where: bonds (distance) C4'-P energy: -62.781 bonds (distance) P-C4' energy: -54.741 flat angles C4'-P-C4' energy: -49.058 flat angles P-C4'-P energy: -40.995 tors. eta vs tors. theta energy: -55.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -424.840397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.840397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.840397 (E_RNA) where: Base-Base interactions energy: -205.266 where: short stacking energy: -126.358 Base-Backbone interact. energy: 2.500 local terms energy: -222.075174 where: bonds (distance) C4'-P energy: -59.428 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -62.458 flat angles P-C4'-P energy: -28.427 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -398.450348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.450348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.450348 (E_RNA) where: Base-Base interactions energy: -206.158 where: short stacking energy: -112.172 Base-Backbone interact. energy: 3.604 local terms energy: -195.896438 where: bonds (distance) C4'-P energy: -60.532 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -41.603 flat angles P-C4'-P energy: -22.099 tors. eta vs tors. theta energy: -9.313 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: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1234.735297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.735297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.735297 (E_RNA) where: Base-Base interactions energy: -855.305 where: short stacking energy: -337.474 Base-Backbone interact. energy: -2.156 local terms energy: -377.274524 where: bonds (distance) C4'-P energy: -71.470 bonds (distance) P-C4' energy: -78.281 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -49.537 tors. eta vs tors. theta energy: -104.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1168.418181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.418181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.418181 (E_RNA) where: Base-Base interactions energy: -822.405 where: short stacking energy: -320.206 Base-Backbone interact. energy: -4.869 local terms energy: -341.144447 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -72.744 flat angles P-C4'-P energy: -43.427 tors. eta vs tors. theta energy: -92.458 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: 3, replica: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1146.668594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.668594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.668594 (E_RNA) where: Base-Base interactions energy: -794.528 where: short stacking energy: -327.644 Base-Backbone interact. energy: 2.415 local terms energy: -354.555684 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -68.695 flat angles P-C4'-P energy: -52.862 tors. eta vs tors. theta energy: -99.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1072.950172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.950172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.950172 (E_RNA) where: Base-Base interactions energy: -756.553 where: short stacking energy: -295.893 Base-Backbone interact. energy: -0.994 local terms energy: -315.402984 where: bonds (distance) C4'-P energy: -56.734 bonds (distance) P-C4' energy: -55.184 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -90.835 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -976.754059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.754059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.754059 (E_RNA) where: Base-Base interactions energy: -683.364 where: short stacking energy: -274.187 Base-Backbone interact. energy: 0.763 local terms energy: -294.152688 where: bonds (distance) C4'-P energy: -56.144 bonds (distance) P-C4' energy: -60.114 flat angles C4'-P-C4' energy: -54.316 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -83.998 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: 447 Temperature: 1.150000 Total energy: -991.374485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.374485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.374485 (E_RNA) where: Base-Base interactions energy: -685.378 where: short stacking energy: -288.616 Base-Backbone interact. energy: -0.602 local terms energy: -305.394516 where: bonds (distance) C4'-P energy: -62.169 bonds (distance) P-C4' energy: -49.568 flat angles C4'-P-C4' energy: -67.242 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: -90.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -768.502594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.502594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.502594 (E_RNA) where: Base-Base interactions energy: -484.563 where: short stacking energy: -209.076 Base-Backbone interact. energy: -1.150 local terms energy: -282.790417 where: bonds (distance) C4'-P energy: -58.914 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -62.533 flat angles P-C4'-P energy: -41.210 tors. eta vs tors. theta energy: -51.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -825.830864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.830864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.830864 (E_RNA) where: Base-Base interactions energy: -560.365 where: short stacking energy: -229.312 Base-Backbone interact. energy: 0.168 local terms energy: -265.633366 where: bonds (distance) C4'-P energy: -54.952 bonds (distance) P-C4' energy: -63.866 flat angles C4'-P-C4' energy: -56.046 flat angles P-C4'-P energy: -31.748 tors. eta vs tors. theta energy: -59.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -404.037603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.037603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.037603 (E_RNA) where: Base-Base interactions energy: -195.034 where: short stacking energy: -115.698 Base-Backbone interact. energy: 1.231 local terms energy: -210.234273 where: bonds (distance) C4'-P energy: -66.070 bonds (distance) P-C4' energy: -68.948 flat angles C4'-P-C4' energy: -47.524 flat angles P-C4'-P energy: -23.464 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: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -386.473331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.473331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.473331 (E_RNA) where: Base-Base interactions energy: -189.720 where: short stacking energy: -109.768 Base-Backbone interact. energy: 2.388 local terms energy: -199.141502 where: bonds (distance) C4'-P energy: -41.161 bonds (distance) P-C4' energy: -55.223 flat angles C4'-P-C4' energy: -51.792 flat angles P-C4'-P energy: -35.406 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1211.878103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.878103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.878103 (E_RNA) where: Base-Base interactions energy: -863.016 where: short stacking energy: -341.924 Base-Backbone interact. energy: -1.995 local terms energy: -346.866673 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -52.980 flat angles C4'-P-C4' energy: -79.283 flat angles P-C4'-P energy: -55.934 tors. eta vs tors. theta energy: -95.717 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1172.804945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.804945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.804945 (E_RNA) where: Base-Base interactions energy: -831.886 where: short stacking energy: -324.981 Base-Backbone interact. energy: -1.555 local terms energy: -339.364355 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -73.110 flat angles C4'-P-C4' energy: -71.032 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -94.181 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: 448 Temperature: 1.000000 Total energy: -1158.104039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.104039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.104039 (E_RNA) where: Base-Base interactions energy: -818.684 where: short stacking energy: -334.834 Base-Backbone interact. energy: -0.391 local terms energy: -339.028298 where: bonds (distance) C4'-P energy: -45.657 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -73.111 flat angles P-C4'-P energy: -54.736 tors. eta vs tors. theta energy: -100.836 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: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1075.431664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.431664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.431664 (E_RNA) where: Base-Base interactions energy: -756.564 where: short stacking energy: -306.259 Base-Backbone interact. energy: -0.239 local terms energy: -318.629142 where: bonds (distance) C4'-P energy: -57.992 bonds (distance) P-C4' energy: -61.916 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -37.843 tors. eta vs tors. theta energy: -91.894 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: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1014.340102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.340102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.340102 (E_RNA) where: Base-Base interactions energy: -695.382 where: short stacking energy: -286.299 Base-Backbone interact. energy: 1.912 local terms energy: -320.870952 where: bonds (distance) C4'-P energy: -67.547 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -65.748 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -83.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -949.213104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.213104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.213104 (E_RNA) where: Base-Base interactions energy: -652.772 where: short stacking energy: -288.326 Base-Backbone interact. energy: -0.128 local terms energy: -296.312848 where: bonds (distance) C4'-P energy: -54.159 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -58.799 flat angles P-C4'-P energy: -49.643 tors. eta vs tors. theta energy: -83.517 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: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -811.787112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.787112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.787112 (E_RNA) where: Base-Base interactions energy: -540.054 where: short stacking energy: -251.987 Base-Backbone interact. energy: 0.694 local terms energy: -272.427759 where: bonds (distance) C4'-P energy: -47.201 bonds (distance) P-C4' energy: -50.207 flat angles C4'-P-C4' energy: -66.647 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: -76.413 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -746.093434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.093434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.093434 (E_RNA) where: Base-Base interactions energy: -478.583 where: short stacking energy: -214.054 Base-Backbone interact. energy: -0.175 local terms energy: -267.334900 where: bonds (distance) C4'-P energy: -57.436 bonds (distance) P-C4' energy: -51.895 flat angles C4'-P-C4' energy: -55.856 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -55.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -396.239447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.239447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.239447 (E_RNA) where: Base-Base interactions energy: -194.946 where: short stacking energy: -114.668 Base-Backbone interact. energy: 0.571 local terms energy: -201.864192 where: bonds (distance) C4'-P energy: -54.903 bonds (distance) P-C4' energy: -57.182 flat angles C4'-P-C4' energy: -56.691 flat angles P-C4'-P energy: -27.863 tors. eta vs tors. theta energy: -5.226 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: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -374.589889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.589889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.589889 (E_RNA) where: Base-Base interactions energy: -188.860 where: short stacking energy: -101.366 Base-Backbone interact. energy: 1.903 local terms energy: -187.632738 where: bonds (distance) C4'-P energy: -51.888 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -45.624 flat angles P-C4'-P energy: -28.691 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1219.326638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.326638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.326638 (E_RNA) where: Base-Base interactions energy: -868.820 where: short stacking energy: -330.569 Base-Backbone interact. energy: -0.378 local terms energy: -350.128592 where: bonds (distance) C4'-P energy: -72.023 bonds (distance) P-C4' energy: -68.256 flat angles C4'-P-C4' energy: -72.506 flat angles P-C4'-P energy: -42.418 tors. eta vs tors. theta energy: -94.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1154.226701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.226701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.226701 (E_RNA) where: Base-Base interactions energy: -826.206 where: short stacking energy: -324.015 Base-Backbone interact. energy: 0.406 local terms energy: -328.426911 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -57.850 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -47.612 tors. eta vs tors. theta energy: -98.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1132.286055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.286055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.286055 (E_RNA) where: Base-Base interactions energy: -798.213 where: short stacking energy: -321.591 Base-Backbone interact. energy: 0.080 local terms energy: -334.152508 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -69.133 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -90.661 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: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1050.860467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.860467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.860467 (E_RNA) where: Base-Base interactions energy: -716.502 where: short stacking energy: -292.484 Base-Backbone interact. energy: -0.915 local terms energy: -333.443716 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -60.152 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -85.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1017.488930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.488930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.488930 (E_RNA) where: Base-Base interactions energy: -713.659 where: short stacking energy: -296.183 Base-Backbone interact. energy: -0.468 local terms energy: -303.361376 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -68.978 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -76.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -996.486826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.486826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.486826 (E_RNA) where: Base-Base interactions energy: -687.274 where: short stacking energy: -273.004 Base-Backbone interact. energy: -2.601 local terms energy: -306.611937 where: bonds (distance) C4'-P energy: -52.244 bonds (distance) P-C4' energy: -56.433 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -48.792 tors. eta vs tors. theta energy: -85.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -787.095470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.095470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.095470 (E_RNA) where: Base-Base interactions energy: -508.605 where: short stacking energy: -227.032 Base-Backbone interact. energy: -0.306 local terms energy: -278.184946 where: bonds (distance) C4'-P energy: -57.449 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -66.637 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: -52.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -728.632297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.632297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.632297 (E_RNA) where: Base-Base interactions energy: -489.412 where: short stacking energy: -210.859 Base-Backbone interact. energy: -0.052 local terms energy: -239.167877 where: bonds (distance) C4'-P energy: -48.667 bonds (distance) P-C4' energy: -56.716 flat angles C4'-P-C4' energy: -54.405 flat angles P-C4'-P energy: -30.063 tors. eta vs tors. theta energy: -49.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -413.384206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.384206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.384206 (E_RNA) where: Base-Base interactions energy: -207.063 where: short stacking energy: -117.593 Base-Backbone interact. energy: -2.312 local terms energy: -204.008504 where: bonds (distance) C4'-P energy: -59.547 bonds (distance) P-C4' energy: -59.343 flat angles C4'-P-C4' energy: -60.105 flat angles P-C4'-P energy: -18.842 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -406.360609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.360609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.360609 (E_RNA) where: Base-Base interactions energy: -211.920 where: short stacking energy: -119.457 Base-Backbone interact. energy: 0.928 local terms energy: -195.368853 where: bonds (distance) C4'-P energy: -58.332 bonds (distance) P-C4' energy: -48.165 flat angles C4'-P-C4' energy: -52.906 flat angles P-C4'-P energy: -30.028 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1213.241144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.241144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.241144 (E_RNA) where: Base-Base interactions energy: -858.899 where: short stacking energy: -332.104 Base-Backbone interact. energy: -0.894 local terms energy: -353.447521 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -70.473 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -53.479 tors. eta vs tors. theta energy: -100.496 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: 450 Temperature: 0.950000 Total energy: -1190.150402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.150402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.150402 (E_RNA) where: Base-Base interactions energy: -815.688 where: short stacking energy: -337.658 Base-Backbone interact. energy: 1.442 local terms energy: -375.904700 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -78.127 flat angles P-C4'-P energy: -60.323 tors. eta vs tors. theta energy: -110.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1148.522363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.522363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.522363 (E_RNA) where: Base-Base interactions energy: -791.699 where: short stacking energy: -307.634 Base-Backbone interact. energy: -2.831 local terms energy: -353.992289 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -61.796 flat angles C4'-P-C4' energy: -76.103 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -96.172 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: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1044.792927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.792927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.792927 (E_RNA) where: Base-Base interactions energy: -714.994 where: short stacking energy: -297.125 Base-Backbone interact. energy: -1.694 local terms energy: -328.104469 where: bonds (distance) C4'-P energy: -55.893 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -69.988 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1030.805355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.805355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.805355 (E_RNA) where: Base-Base interactions energy: -712.728 where: short stacking energy: -306.923 Base-Backbone interact. energy: -2.425 local terms energy: -315.651872 where: bonds (distance) C4'-P energy: -47.660 bonds (distance) P-C4' energy: -49.360 flat angles C4'-P-C4' energy: -71.384 flat angles P-C4'-P energy: -54.884 tors. eta vs tors. theta energy: -92.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -991.152840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.152840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.152840 (E_RNA) where: Base-Base interactions energy: -701.341 where: short stacking energy: -271.845 Base-Backbone interact. energy: 0.169 local terms energy: -289.981508 where: bonds (distance) C4'-P energy: -47.815 bonds (distance) P-C4' energy: -67.852 flat angles C4'-P-C4' energy: -67.104 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: -67.975 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: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -804.830438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.830438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.830438 (E_RNA) where: Base-Base interactions energy: -524.297 where: short stacking energy: -217.339 Base-Backbone interact. energy: 1.577 local terms energy: -282.110346 where: bonds (distance) C4'-P energy: -52.864 bonds (distance) P-C4' energy: -44.883 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -77.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -722.194084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.194084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.194084 (E_RNA) where: Base-Base interactions energy: -479.679 where: short stacking energy: -202.582 Base-Backbone interact. energy: -0.148 local terms energy: -242.367570 where: bonds (distance) C4'-P energy: -47.019 bonds (distance) P-C4' energy: -48.017 flat angles C4'-P-C4' energy: -55.346 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -51.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -421.938530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.938530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.938530 (E_RNA) where: Base-Base interactions energy: -206.121 where: short stacking energy: -124.174 Base-Backbone interact. energy: -1.033 local terms energy: -214.784750 where: bonds (distance) C4'-P energy: -66.875 bonds (distance) P-C4' energy: -50.950 flat angles C4'-P-C4' energy: -56.504 flat angles P-C4'-P energy: -28.430 tors. eta vs tors. theta energy: -12.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -380.119210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.119210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.119210 (E_RNA) where: Base-Base interactions energy: -186.425 where: short stacking energy: -97.831 Base-Backbone interact. energy: -0.746 local terms energy: -192.947547 where: bonds (distance) C4'-P energy: -52.098 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -42.029 flat angles P-C4'-P energy: -24.607 tors. eta vs tors. theta energy: -6.945 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: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1217.717373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.717373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.717373 (E_RNA) where: Base-Base interactions energy: -863.625 where: short stacking energy: -339.150 Base-Backbone interact. energy: 1.779 local terms energy: -355.872067 where: bonds (distance) C4'-P energy: -69.043 bonds (distance) P-C4' energy: -69.254 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -95.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1185.804339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.804339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.804339 (E_RNA) where: Base-Base interactions energy: -835.389 where: short stacking energy: -352.344 Base-Backbone interact. energy: -1.898 local terms energy: -348.517502 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -67.936 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -108.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1135.644287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.644287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.644287 (E_RNA) where: Base-Base interactions energy: -812.525 where: short stacking energy: -323.431 Base-Backbone interact. energy: -0.579 local terms energy: -322.540294 where: bonds (distance) C4'-P energy: -52.189 bonds (distance) P-C4' energy: -59.640 flat angles C4'-P-C4' energy: -66.161 flat angles P-C4'-P energy: -54.737 tors. eta vs tors. theta energy: -89.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1059.552153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.552153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.552153 (E_RNA) where: Base-Base interactions energy: -721.982 where: short stacking energy: -282.637 Base-Backbone interact. energy: -0.040 local terms energy: -337.530068 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -53.946 tors. eta vs tors. theta energy: -93.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1055.560167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.560167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.560167 (E_RNA) where: Base-Base interactions energy: -734.315 where: short stacking energy: -297.159 Base-Backbone interact. energy: 2.917 local terms energy: -324.161926 where: bonds (distance) C4'-P energy: -52.230 bonds (distance) P-C4' energy: -69.889 flat angles C4'-P-C4' energy: -69.100 flat angles P-C4'-P energy: -41.478 tors. eta vs tors. theta energy: -91.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -914.332586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.332586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.332586 (E_RNA) where: Base-Base interactions energy: -629.715 where: short stacking energy: -248.809 Base-Backbone interact. energy: 0.443 local terms energy: -285.060145 where: bonds (distance) C4'-P energy: -56.649 bonds (distance) P-C4' energy: -53.736 flat angles C4'-P-C4' energy: -65.633 flat angles P-C4'-P energy: -42.449 tors. eta vs tors. theta energy: -66.594 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: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -822.929319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.929319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.929319 (E_RNA) where: Base-Base interactions energy: -537.799 where: short stacking energy: -251.187 Base-Backbone interact. energy: 4.547 local terms energy: -289.677054 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -59.060 flat angles P-C4'-P energy: -42.092 tors. eta vs tors. theta energy: -73.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -718.732639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.732639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.732639 (E_RNA) where: Base-Base interactions energy: -480.452 where: short stacking energy: -200.167 Base-Backbone interact. energy: 2.339 local terms energy: -240.619821 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -39.847 flat angles C4'-P-C4' energy: -60.562 flat angles P-C4'-P energy: -32.166 tors. eta vs tors. theta energy: -45.407 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: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -396.527081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.527081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.527081 (E_RNA) where: Base-Base interactions energy: -217.167 where: short stacking energy: -112.079 Base-Backbone interact. energy: -3.942 local terms energy: -175.418687 where: bonds (distance) C4'-P energy: -47.110 bonds (distance) P-C4' energy: -39.710 flat angles C4'-P-C4' energy: -57.438 flat angles P-C4'-P energy: -26.672 tors. eta vs tors. theta energy: -4.488 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: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -371.446024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.446024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.446024 (E_RNA) where: Base-Base interactions energy: -181.269 where: short stacking energy: -95.605 Base-Backbone interact. energy: 0.415 local terms energy: -190.592688 where: bonds (distance) C4'-P energy: -49.562 bonds (distance) P-C4' energy: -53.381 flat angles C4'-P-C4' energy: -49.142 flat angles P-C4'-P energy: -35.006 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1211.092881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.092881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.092881 (E_RNA) where: Base-Base interactions energy: -830.138 where: short stacking energy: -349.042 Base-Backbone interact. energy: -0.566 local terms energy: -380.388685 where: bonds (distance) C4'-P energy: -62.757 bonds (distance) P-C4' energy: -74.075 flat angles C4'-P-C4' energy: -72.497 flat angles P-C4'-P energy: -57.804 tors. eta vs tors. theta energy: -113.256 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: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1185.711843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.711843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.711843 (E_RNA) where: Base-Base interactions energy: -848.453 where: short stacking energy: -330.380 Base-Backbone interact. energy: 0.110 local terms energy: -337.368818 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -70.296 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -93.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1124.279015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.279015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.279015 (E_RNA) where: Base-Base interactions energy: -771.367 where: short stacking energy: -294.323 Base-Backbone interact. energy: -2.322 local terms energy: -350.590341 where: bonds (distance) C4'-P energy: -68.115 bonds (distance) P-C4' energy: -64.448 flat angles C4'-P-C4' energy: -80.636 flat angles P-C4'-P energy: -49.434 tors. eta vs tors. theta energy: -87.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1045.324641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.324641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.324641 (E_RNA) where: Base-Base interactions energy: -699.143 where: short stacking energy: -293.534 Base-Backbone interact. energy: -1.292 local terms energy: -344.889933 where: bonds (distance) C4'-P energy: -67.594 bonds (distance) P-C4' energy: -62.305 flat angles C4'-P-C4' energy: -75.370 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -90.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1052.358849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.358849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.358849 (E_RNA) where: Base-Base interactions energy: -733.699 where: short stacking energy: -293.941 Base-Backbone interact. energy: 0.717 local terms energy: -319.376165 where: bonds (distance) C4'-P energy: -51.490 bonds (distance) P-C4' energy: -56.618 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -98.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -898.996056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.996056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.996056 (E_RNA) where: Base-Base interactions energy: -597.599 where: short stacking energy: -251.683 Base-Backbone interact. energy: -0.615 local terms energy: -300.782117 where: bonds (distance) C4'-P energy: -63.228 bonds (distance) P-C4' energy: -60.465 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -40.196 tors. eta vs tors. theta energy: -68.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -837.019210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.019210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.019210 (E_RNA) where: Base-Base interactions energy: -545.779 where: short stacking energy: -239.993 Base-Backbone interact. energy: -1.923 local terms energy: -289.317507 where: bonds (distance) C4'-P energy: -62.645 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -65.242 flat angles P-C4'-P energy: -34.996 tors. eta vs tors. theta energy: -71.371 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: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -762.868960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.868960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.868960 (E_RNA) where: Base-Base interactions energy: -506.475 where: short stacking energy: -204.703 Base-Backbone interact. energy: 0.536 local terms energy: -256.929349 where: bonds (distance) C4'-P energy: -39.884 bonds (distance) P-C4' energy: -67.525 flat angles C4'-P-C4' energy: -58.790 flat angles P-C4'-P energy: -39.999 tors. eta vs tors. theta energy: -50.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -406.814463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.814463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.814463 (E_RNA) where: Base-Base interactions energy: -190.616 where: short stacking energy: -100.468 Base-Backbone interact. energy: -1.477 local terms energy: -214.720564 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -58.803 flat angles C4'-P-C4' energy: -57.439 flat angles P-C4'-P energy: -33.469 tors. eta vs tors. theta energy: -1.480 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: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -376.167766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.167766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.167766 (E_RNA) where: Base-Base interactions energy: -186.060 where: short stacking energy: -103.786 Base-Backbone interact. energy: 2.375 local terms energy: -192.483433 where: bonds (distance) C4'-P energy: -55.738 bonds (distance) P-C4' energy: -35.162 flat angles C4'-P-C4' energy: -58.327 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -7.371 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) out arg RESULTS//1/1-49766c54_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1209.788184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.788184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.788184 (E_RNA) where: Base-Base interactions energy: -838.075 where: short stacking energy: -348.484 Base-Backbone interact. energy: -0.842 local terms energy: -370.871043 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -102.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1174.419140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.419140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.419140 (E_RNA) where: Base-Base interactions energy: -832.764 where: short stacking energy: -321.559 Base-Backbone interact. energy: -2.118 local terms energy: -339.537122 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -68.892 flat angles C4'-P-C4' energy: -70.345 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -92.678 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: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1158.016675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.016675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.016675 (E_RNA) where: Base-Base interactions energy: -819.438 where: short stacking energy: -320.163 Base-Backbone interact. energy: -2.715 local terms energy: -335.863174 where: bonds (distance) C4'-P energy: -62.031 bonds (distance) P-C4' energy: -58.972 flat angles C4'-P-C4' energy: -72.644 flat angles P-C4'-P energy: -46.465 tors. eta vs tors. theta energy: -95.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1047.489860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.489860 (E_RNA) where: Base-Base interactions energy: -706.784 where: short stacking energy: -304.060 Base-Backbone interact. energy: 0.594 local terms energy: -341.300664 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -64.122 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -46.283 tors. eta vs tors. theta energy: -91.538 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: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1016.485905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.485905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.485905 (E_RNA) where: Base-Base interactions energy: -699.996 where: short stacking energy: -315.090 Base-Backbone interact. energy: -1.284 local terms energy: -315.206110 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -60.681 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -92.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -836.526377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.526377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.526377 (E_RNA) where: Base-Base interactions energy: -539.881 where: short stacking energy: -241.589 Base-Backbone interact. energy: 0.743 local terms energy: -297.387849 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -66.486 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -65.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -844.551718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.551718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.551718 (E_RNA) where: Base-Base interactions energy: -570.209 where: short stacking energy: -223.849 Base-Backbone interact. energy: -0.273 local terms energy: -274.069244 where: bonds (distance) C4'-P energy: -68.769 bonds (distance) P-C4' energy: -49.989 flat angles C4'-P-C4' energy: -51.744 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -55.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -791.157009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.157009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.157009 (E_RNA) where: Base-Base interactions energy: -494.847 where: short stacking energy: -209.593 Base-Backbone interact. energy: -0.723 local terms energy: -295.587642 where: bonds (distance) C4'-P energy: -70.698 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -43.968 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: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -411.300442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.300442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.300442 (E_RNA) where: Base-Base interactions energy: -201.175 where: short stacking energy: -103.673 Base-Backbone interact. energy: 0.750 local terms energy: -210.875178 where: bonds (distance) C4'-P energy: -62.137 bonds (distance) P-C4' energy: -71.260 flat angles C4'-P-C4' energy: -46.340 flat angles P-C4'-P energy: -26.360 tors. eta vs tors. theta energy: -4.779 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: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -389.663455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.663455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.663455 (E_RNA) where: Base-Base interactions energy: -200.717 where: short stacking energy: -98.057 Base-Backbone interact. energy: -1.717 local terms energy: -187.229732 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -49.402 flat angles P-C4'-P energy: -26.003 tors. eta vs tors. theta energy: 3.921 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)