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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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/7q4l_rna-28c8c6bb/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7q4l_rna-28c8c6bb/inputs/seq.fa: 1 curr_seq: _CUUAUUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUAUUUG 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 8 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: 45 n_atoms_counter: 45 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 RNAStructure::secondStrcWeight = 1.000000 detecting repulsive nucl: 0, chain 0 detecting repulsive nucl: 1, chain 0 detecting repulsive nucl: 2, chain 0 detecting repulsive nucl: 3, chain 0 detecting repulsive nucl: 4, chain 0 detecting repulsive nucl: 5, chain 0 detecting repulsive nucl: 6, chain 0 detecting repulsive nucl: 7, chain 0 chain: 1: _xxxxxxxx_ setting nucl: 0, chain: 0, index: 0 as repulsive dummy assignin repulsive histogram setting nucl: 1, chain: 0, index: 1 as repulsive dummy assignin repulsive histogram setting nucl: 2, chain: 0, index: 2 as repulsive dummy assignin repulsive histogram setting nucl: 3, chain: 0, index: 3 as repulsive dummy assignin repulsive histogram setting nucl: 4, chain: 0, index: 4 as repulsive dummy assignin repulsive histogram setting nucl: 5, chain: 0, index: 5 as repulsive dummy assignin repulsive histogram setting nucl: 6, chain: 0, index: 6 as repulsive dummy assignin repulsive histogram setting nucl: 7, chain: 0, index: 7 as repulsive dummy assignin repulsive histogram RNAStructure::tertiaryStrcWeight = 1.000000 EntireStructure::rnaStruct limitingSphereRadius : 8.000000 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: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -27.233183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.233183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.233183 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -27.233110 where: bonds (distance) C4'-P energy: -7.773 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: 1.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -38.649449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.649449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.649449 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -9.149 Base-Backbone interact. energy: -0.044 local terms energy: -27.701376 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -37.717781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.717781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.717781 (E_RNA) where: Base-Base interactions energy: -8.151 where: short stacking energy: -6.840 Base-Backbone interact. energy: -0.107 local terms energy: -29.459682 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.527 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -35.558795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558795 (E_RNA) where: Base-Base interactions energy: -8.866 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.746 local terms energy: -25.947490 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -3.470 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -36.495363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.495363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.495363 (E_RNA) where: Base-Base interactions energy: -11.381 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.028 local terms energy: -25.086647 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -30.383049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.383049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.383049 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.003 local terms energy: -21.790783 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: 0.910 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -31.921797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.921797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.921797 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.035 local terms energy: -23.914600 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -3.320 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -31.321000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.321000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.321000 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.002 local terms energy: -24.095428 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: 0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -31.666727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.666727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.666727 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -7.994 Base-Backbone interact. energy: -0.019 local terms energy: -23.653305 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -28.853676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853676 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -8.247 Base-Backbone interact. energy: -0.004 local terms energy: -20.602830 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: 0.575 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -27.701370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.701370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.701370 (E_RNA) where: Base-Base interactions energy: -4.235 where: short stacking energy: -4.235 Base-Backbone interact. energy: -0.027 local terms energy: -23.438813 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: 0.773 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -41.997862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.997862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.997862 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.000 local terms energy: -31.252695 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -39.584604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.584604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.584604 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.000 local terms energy: -27.488050 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -32.356635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.356635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.356635 (E_RNA) where: Base-Base interactions energy: -5.080 where: short stacking energy: -4.756 Base-Backbone interact. energy: -0.002 local terms energy: -27.274817 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -2.742 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -37.672914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.672914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.672914 (E_RNA) where: Base-Base interactions energy: -12.119 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.001 local terms energy: -25.553111 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -31.088366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.088366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.088366 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.043 local terms energy: -22.037121 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -31.936895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.936895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.936895 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.067 local terms energy: -25.219349 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -32.760570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760570 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.009 local terms energy: -23.280194 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -31.535602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535602 (E_RNA) where: Base-Base interactions energy: -9.588 where: short stacking energy: -9.588 Base-Backbone interact. energy: -0.000 local terms energy: -21.947961 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -0.801 tors. eta vs tors. theta energy: -3.535 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -24.594292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594292 (E_RNA) where: Base-Base interactions energy: -3.753 where: short stacking energy: -3.753 Base-Backbone interact. energy: -0.005 local terms energy: -20.836826 where: bonds (distance) C4'-P energy: -4.068 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -30.004518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.004518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.004518 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.003 local terms energy: -22.875271 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.434 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -40.772673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.772673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.772673 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.031 local terms energy: -26.881681 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -36.307523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.307523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.307523 (E_RNA) where: Base-Base interactions energy: -11.464 where: short stacking energy: -11.464 Base-Backbone interact. energy: -0.000 local terms energy: -24.843124 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -36.143421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.143421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.143421 (E_RNA) where: Base-Base interactions energy: -11.947 where: short stacking energy: -11.947 Base-Backbone interact. energy: -0.000 local terms energy: -24.196572 where: bonds (distance) C4'-P energy: -5.222 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -33.666502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.666502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.666502 (E_RNA) where: Base-Base interactions energy: -5.612 where: short stacking energy: -5.612 Base-Backbone interact. energy: -0.000 local terms energy: -28.054559 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -4.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -37.360019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.360019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.360019 (E_RNA) where: Base-Base interactions energy: -12.688 where: short stacking energy: -12.688 Base-Backbone interact. energy: -0.040 local terms energy: -24.632136 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -0.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -38.951184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951184 (E_RNA) where: Base-Base interactions energy: -11.245 where: short stacking energy: -11.245 Base-Backbone interact. energy: -0.095 local terms energy: -27.611635 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -30.894870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.894870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.894870 (E_RNA) where: Base-Base interactions energy: -6.448 where: short stacking energy: -6.448 Base-Backbone interact. energy: 0.053 local terms energy: -24.500080 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -35.393711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.393711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.393711 (E_RNA) where: Base-Base interactions energy: -9.387 where: short stacking energy: -9.387 Base-Backbone interact. energy: -0.024 local terms energy: -25.982210 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -1.657 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -29.621618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.621618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.621618 (E_RNA) where: Base-Base interactions energy: -4.812 where: short stacking energy: -4.812 Base-Backbone interact. energy: -0.458 local terms energy: -24.351685 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -27.316604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.316604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.316604 (E_RNA) where: Base-Base interactions energy: -4.251 where: short stacking energy: -4.251 Base-Backbone interact. energy: -0.106 local terms energy: -22.959663 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -41.235710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.235710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.235710 (E_RNA) where: Base-Base interactions energy: -12.095 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.003 local terms energy: -29.138094 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -38.153365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.153365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.153365 (E_RNA) where: Base-Base interactions energy: -11.172 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.001 local terms energy: -26.979740 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -37.658509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.658509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.658509 (E_RNA) where: Base-Base interactions energy: -9.702 where: short stacking energy: -9.702 Base-Backbone interact. energy: -0.000 local terms energy: -27.956026 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -34.284935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.284935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.284935 (E_RNA) where: Base-Base interactions energy: -12.089 where: short stacking energy: -12.089 Base-Backbone interact. energy: -0.032 local terms energy: -22.163812 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -31.712039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.712039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.712039 (E_RNA) where: Base-Base interactions energy: -8.404 where: short stacking energy: -8.404 Base-Backbone interact. energy: -0.029 local terms energy: -23.279351 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -33.571002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571002 (E_RNA) where: Base-Base interactions energy: -6.587 where: short stacking energy: -6.587 Base-Backbone interact. energy: -0.000 local terms energy: -26.984071 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -4.632 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -36.457094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.457094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.457094 (E_RNA) where: Base-Base interactions energy: -13.106 where: short stacking energy: -13.106 Base-Backbone interact. energy: -0.001 local terms energy: -23.350401 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -32.179378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.179378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.179378 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.000 local terms energy: -20.228958 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -31.986507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.986507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.986507 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -6.891 Base-Backbone interact. energy: -0.068 local terms energy: -25.027847 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -28.335003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.335003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.335003 (E_RNA) where: Base-Base interactions energy: -3.195 where: short stacking energy: -3.332 Base-Backbone interact. energy: -0.059 local terms energy: -25.080727 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -40.004317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.004317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.004317 (E_RNA) where: Base-Base interactions energy: -12.881 where: short stacking energy: -12.881 Base-Backbone interact. energy: -0.040 local terms energy: -27.083371 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -36.868347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.868347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.868347 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.010 local terms energy: -23.717766 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -3.310 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: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -32.721777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.721777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.721777 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -5.394 Base-Backbone interact. energy: -0.097 local terms energy: -24.954565 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -0.962 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: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -33.879907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.879907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.879907 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.938 Base-Backbone interact. energy: -0.066 local terms energy: -23.476528 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.234 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: 6 Temperature: 1.100000 Total energy: -32.750975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.750975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.750975 (E_RNA) where: Base-Base interactions energy: -7.046 where: short stacking energy: -7.046 Base-Backbone interact. energy: -0.001 local terms energy: -25.703886 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -3.155 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: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -33.756874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.756874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.756874 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -11.554 Base-Backbone interact. energy: -0.152 local terms energy: -24.050739 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -32.271947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.271947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.271947 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.670 Base-Backbone interact. energy: -0.003 local terms energy: -24.598876 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -32.166859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.166859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.166859 (E_RNA) where: Base-Base interactions energy: -7.789 where: short stacking energy: -7.789 Base-Backbone interact. energy: -0.035 local terms energy: -24.342116 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -0.838 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -26.934279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.934279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.934279 (E_RNA) where: Base-Base interactions energy: -6.662 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.042 local terms energy: -20.230183 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -1.651 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: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -28.053576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.053576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.053576 (E_RNA) where: Base-Base interactions energy: -6.583 where: short stacking energy: -6.583 Base-Backbone interact. energy: -0.146 local terms energy: -21.324463 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -39.386848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.386848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.386848 (E_RNA) where: Base-Base interactions energy: -13.911 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.010 local terms energy: -25.466327 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -35.026948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026948 (E_RNA) where: Base-Base interactions energy: -11.666 where: short stacking energy: -11.666 Base-Backbone interact. energy: -0.012 local terms energy: -23.348759 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -36.304342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.304342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.304342 (E_RNA) where: Base-Base interactions energy: -10.738 where: short stacking energy: -10.738 Base-Backbone interact. energy: -0.016 local terms energy: -25.550060 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -4.372 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -5.089 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: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -34.904681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.904681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.904681 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.005 local terms energy: -24.178946 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -0.588 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -36.667434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.667434 (E_RNA) where: Base-Base interactions energy: -11.033 where: short stacking energy: -11.033 Base-Backbone interact. energy: 0.061 local terms energy: -25.695444 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -4.680 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: 6, replica: 2 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -35.267202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267202 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.057 local terms energy: -24.790227 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -35.150575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.150575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.150575 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.096 local terms energy: -26.071997 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.309 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -32.454277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.454277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.454277 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.008 local terms energy: -24.472591 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -27.098565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.098565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.098565 (E_RNA) where: Base-Base interactions energy: -3.429 where: short stacking energy: -3.429 Base-Backbone interact. energy: -0.132 local terms energy: -23.537110 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -0.976 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: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -36.241347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.241347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.241347 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.000 local terms energy: -29.021477 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -37.292369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.292369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.292369 (E_RNA) where: Base-Base interactions energy: -10.747 where: short stacking energy: -10.747 Base-Backbone interact. energy: -0.049 local terms energy: -26.496473 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.857 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: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -38.222418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.222418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.222418 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.000 local terms energy: -26.634793 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -36.417483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.417483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.417483 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.000 local terms energy: -24.692124 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -4.086 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: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -31.471705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.471705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.471705 (E_RNA) where: Base-Base interactions energy: -6.674 where: short stacking energy: -6.674 Base-Backbone interact. energy: -0.000 local terms energy: -24.796984 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -30.867561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.867561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.867561 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.000 local terms energy: -22.395969 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.326 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -33.421685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.421685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.421685 (E_RNA) where: Base-Base interactions energy: -8.251 where: short stacking energy: -8.251 Base-Backbone interact. energy: -0.001 local terms energy: -25.169751 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -31.339611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339611 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: 0.336 local terms energy: -24.786665 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -33.571304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571304 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.109 local terms energy: -22.094703 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -29.323137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.323137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.323137 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -5.081 Base-Backbone interact. energy: -0.163 local terms energy: -21.751710 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: 1.609 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: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -26.882152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.882152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.882152 (E_RNA) where: Base-Base interactions energy: -3.969 where: short stacking energy: -3.535 Base-Backbone interact. energy: -0.000 local terms energy: -22.912659 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.223 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -38.378257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.378257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.378257 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.000 local terms energy: -28.780028 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.215 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -40.115125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115125 (E_RNA) where: Base-Base interactions energy: -12.276 where: short stacking energy: -12.276 Base-Backbone interact. energy: -0.087 local terms energy: -27.752182 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -3.179 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: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -33.311117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.311117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.311117 (E_RNA) where: Base-Base interactions energy: -10.575 where: short stacking energy: -10.575 Base-Backbone interact. energy: 0.130 local terms energy: -22.866086 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: 0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -35.779889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.779889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.779889 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.868 local terms energy: -25.267018 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -35.785119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.785119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.785119 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.003 local terms energy: -26.092322 where: bonds (distance) C4'-P energy: -5.214 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -35.809040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.809040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.809040 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.037 local terms energy: -24.109596 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -32.306965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.306965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.306965 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.063 local terms energy: -25.296206 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -30.244823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.244823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.244823 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.001 local terms energy: -20.795669 where: bonds (distance) C4'-P energy: -5.073 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: 0.240 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -31.628101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.628101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.628101 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.003 local terms energy: -22.226366 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -26.272876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.272876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.272876 (E_RNA) where: Base-Base interactions energy: -3.975 where: short stacking energy: -3.975 Base-Backbone interact. energy: -0.089 local terms energy: -22.209451 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: 0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -38.817042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.817042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.817042 (E_RNA) where: Base-Base interactions energy: -9.179 where: short stacking energy: -9.179 Base-Backbone interact. energy: -0.048 local terms energy: -29.590447 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -4.109 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: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -38.631846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.631846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.631846 (E_RNA) where: Base-Base interactions energy: -11.893 where: short stacking energy: -11.893 Base-Backbone interact. energy: -0.085 local terms energy: -26.653551 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -40.236259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.236259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.236259 (E_RNA) where: Base-Base interactions energy: -12.086 where: short stacking energy: -12.086 Base-Backbone interact. energy: -0.019 local terms energy: -28.131545 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -38.146222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146222 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.000 local terms energy: -26.834796 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -34.341411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.341411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.341411 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.021 local terms energy: -26.755602 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -1.652 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: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -35.188069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.188069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.188069 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -10.029 Base-Backbone interact. energy: -0.000 local terms energy: -24.106467 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -4.130 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: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -32.300183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.300183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.300183 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.000 local terms energy: -21.813244 where: bonds (distance) C4'-P energy: -3.790 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -29.445010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.445010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.445010 (E_RNA) where: Base-Base interactions energy: -7.447 where: short stacking energy: -7.447 Base-Backbone interact. energy: -0.152 local terms energy: -21.845570 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: 0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -29.849066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.849066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.849066 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.591 Base-Backbone interact. energy: -0.022 local terms energy: -23.401724 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.891 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -29.818976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.818976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.818976 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: -3.849 Base-Backbone interact. energy: -0.003 local terms energy: -24.664063 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -32.552379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.552379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.552379 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.830 local terms energy: -24.089259 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -0.686 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: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -37.301008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.301008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.301008 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.000 local terms energy: -26.687304 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -3.112 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -41.853833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.853833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.853833 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -12.632 Base-Backbone interact. energy: -0.019 local terms energy: -29.202596 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -5.238 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: 4, replica: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -35.732390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.732390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.732390 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -6.871 Base-Backbone interact. energy: -0.082 local terms energy: -27.461236 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -2.068 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -35.464719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.464719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.464719 (E_RNA) where: Base-Base interactions energy: -12.685 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.038 local terms energy: -22.741987 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: 0.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -33.049956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.049956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.049956 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.005 local terms energy: -25.108644 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -1.044 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: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -36.004340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.004340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.004340 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.032 local terms energy: -25.254983 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -30.774150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.774150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.774150 (E_RNA) where: Base-Base interactions energy: -5.365 where: short stacking energy: -5.365 Base-Backbone interact. energy: -0.000 local terms energy: -25.409228 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -32.586418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586418 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.030 local terms energy: -20.017675 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -0.747 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -32.742485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.742485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.742485 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.041 local terms energy: -21.958932 where: bonds (distance) C4'-P energy: -4.188 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -1.440 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: 1, replica: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -36.750299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.750299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.750299 (E_RNA) where: Base-Base interactions energy: -11.498 where: short stacking energy: -11.498 Base-Backbone interact. energy: -0.143 local terms energy: -25.108718 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -36.608470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.608470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.608470 (E_RNA) where: Base-Base interactions energy: -9.084 where: short stacking energy: -9.084 Base-Backbone interact. energy: -0.005 local terms energy: -27.519800 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -36.228414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228414 (E_RNA) where: Base-Base interactions energy: -12.260 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.004 local terms energy: -23.964877 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -1.773 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: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -34.604110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.604110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.604110 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.061 local terms energy: -25.392727 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -32.076413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.076413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.076413 (E_RNA) where: Base-Base interactions energy: -8.250 where: short stacking energy: -8.250 Base-Backbone interact. energy: -0.014 local terms energy: -23.812369 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -0.048 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: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -32.671855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.671855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.671855 (E_RNA) where: Base-Base interactions energy: -9.175 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.017 local terms energy: -23.480373 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -32.907748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907748 (E_RNA) where: Base-Base interactions energy: -9.576 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.018 local terms energy: -23.313686 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.082 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -3.412 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: 12 Temperature: 1.250000 Total energy: -28.304091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.304091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.304091 (E_RNA) where: Base-Base interactions energy: -3.656 where: short stacking energy: -3.656 Base-Backbone interact. energy: -0.076 local terms energy: -24.572262 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -1.669 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: 4 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -28.197397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.197397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.197397 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.179 local terms energy: -21.139605 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -31.887715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.887715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.887715 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.077 local terms energy: -25.031497 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -38.720089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.720089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.720089 (E_RNA) where: Base-Base interactions energy: -12.191 where: short stacking energy: -12.191 Base-Backbone interact. energy: -1.088 local terms energy: -25.441877 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -41.378420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.378420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.378420 (E_RNA) where: Base-Base interactions energy: -12.923 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.002 local terms energy: -28.453014 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -5.295 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: 3, replica: 9 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -36.075305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075305 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.062 local terms energy: -24.402511 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: 1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -34.795226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.795226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.795226 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.005 local terms energy: -23.973631 where: bonds (distance) C4'-P energy: -6.187 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.975 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: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -32.637338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.637338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.637338 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -0.032 local terms energy: -22.263826 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -1.479 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: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -31.653509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.653509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.653509 (E_RNA) where: Base-Base interactions energy: -9.279 where: short stacking energy: -9.279 Base-Backbone interact. energy: -0.087 local terms energy: -22.287750 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -35.901853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901853 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.573 Base-Backbone interact. energy: -0.040 local terms energy: -22.289181 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -2.265 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: 8, replica: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -29.721930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.721930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.721930 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.394 Base-Backbone interact. energy: -0.058 local terms energy: -22.270109 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -29.228140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.228140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.228140 (E_RNA) where: Base-Base interactions energy: -7.261 where: short stacking energy: -7.261 Base-Backbone interact. energy: -0.049 local terms energy: -21.918058 where: bonds (distance) C4'-P energy: -3.178 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -31.371608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.371608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.371608 (E_RNA) where: Base-Base interactions energy: -5.138 where: short stacking energy: -5.138 Base-Backbone interact. energy: -0.106 local terms energy: -26.127028 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -43.615417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.615417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.615417 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -15.205 Base-Backbone interact. energy: -0.024 local terms energy: -28.387315 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -41.610762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.610762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.610762 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.092 local terms energy: -30.016540 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -4.588 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: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -37.781831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.781831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.781831 (E_RNA) where: Base-Base interactions energy: -14.379 where: short stacking energy: -14.379 Base-Backbone interact. energy: -0.000 local terms energy: -23.402070 where: bonds (distance) C4'-P energy: -5.045 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -36.592863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.592863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.592863 (E_RNA) where: Base-Base interactions energy: -9.572 where: short stacking energy: -9.572 Base-Backbone interact. energy: -0.001 local terms energy: -27.019497 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -2.976 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: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -34.405056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.405056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.405056 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -9.745 Base-Backbone interact. energy: -0.009 local terms energy: -23.761897 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -0.406 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: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -33.345700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.345700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.345700 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.001 local terms energy: -22.189989 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: 0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -36.680377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.680377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.680377 (E_RNA) where: Base-Base interactions energy: -12.829 where: short stacking energy: -12.829 Base-Backbone interact. energy: -0.001 local terms energy: -23.850764 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.074 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: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -30.192521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.192521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.192521 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.001 local terms energy: -23.842106 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -27.049259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.049259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.049259 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: -0.622 local terms energy: -19.068820 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -0.349 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -28.688432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.688432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.688432 (E_RNA) where: Base-Base interactions energy: -6.391 where: short stacking energy: -6.391 Base-Backbone interact. energy: -0.412 local terms energy: -21.885328 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -40.393150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.393150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.393150 (E_RNA) where: Base-Base interactions energy: -12.337 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.001 local terms energy: -28.055876 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -36.396517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.396517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.396517 (E_RNA) where: Base-Base interactions energy: -11.328 where: short stacking energy: -11.328 Base-Backbone interact. energy: -0.096 local terms energy: -24.973130 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.860 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: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -36.962920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.962920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.962920 (E_RNA) where: Base-Base interactions energy: -11.214 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.709 local terms energy: -25.039195 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -39.927808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.927808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.927808 (E_RNA) where: Base-Base interactions energy: -15.727 where: short stacking energy: -15.727 Base-Backbone interact. energy: -0.044 local terms energy: -24.156522 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.004 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: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -34.444639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.444639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.444639 (E_RNA) where: Base-Base interactions energy: -8.123 where: short stacking energy: -8.123 Base-Backbone interact. energy: -0.000 local terms energy: -26.321672 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -34.301372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.301372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.301372 (E_RNA) where: Base-Base interactions energy: -9.543 where: short stacking energy: -9.543 Base-Backbone interact. energy: -0.054 local terms energy: -24.705149 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -29.186237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186237 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.034 local terms energy: -21.892838 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -0.025 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: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -32.801298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.801298 (E_RNA) where: Base-Base interactions energy: -7.811 where: short stacking energy: -7.811 Base-Backbone interact. energy: -0.000 local terms energy: -24.990197 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -28.329290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.329290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.329290 (E_RNA) where: Base-Base interactions energy: -5.699 where: short stacking energy: -3.604 Base-Backbone interact. energy: -0.042 local terms energy: -22.587548 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -26.184968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.184968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.184968 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -5.418 Base-Backbone interact. energy: -0.083 local terms energy: -18.940454 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: 2.261 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -39.833660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.833660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.833660 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -10.314 Base-Backbone interact. energy: -0.000 local terms energy: -29.519704 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -5.348 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: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -39.564307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.564307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.564307 (E_RNA) where: Base-Base interactions energy: -10.890 where: short stacking energy: -10.890 Base-Backbone interact. energy: -0.090 local terms energy: -28.584209 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -37.265716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.265716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.265716 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: 0.356 local terms energy: -26.824843 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -32.340881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.340881 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.215 local terms energy: -23.680668 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -0.009 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: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -38.210867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.210867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.210867 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.044 local terms energy: -27.790285 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -38.037067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.037067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.037067 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -11.220 Base-Backbone interact. energy: -0.003 local terms energy: -24.514360 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -3.486 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: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -33.122914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.122914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.122914 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.000 local terms energy: -22.877184 where: bonds (distance) C4'-P energy: -3.798 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -31.182540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.182540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.182540 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.010 local terms energy: -25.074250 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -0.534 tors. eta vs tors. theta energy: -4.599 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: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -28.742989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.742989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.742989 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.011 local terms energy: -21.882970 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -29.791151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.791151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.791151 (E_RNA) where: Base-Base interactions energy: -5.430 where: short stacking energy: -5.430 Base-Backbone interact. energy: -0.012 local terms energy: -24.348598 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -43.283379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.283379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.283379 (E_RNA) where: Base-Base interactions energy: -16.336 where: short stacking energy: -14.811 Base-Backbone interact. energy: -0.000 local terms energy: -26.947088 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -41.052864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.052864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.052864 (E_RNA) where: Base-Base interactions energy: -14.575 where: short stacking energy: -14.575 Base-Backbone interact. energy: 0.426 local terms energy: -26.903782 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.179 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: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -36.454712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.454712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.454712 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -8.017 Base-Backbone interact. energy: 0.494 local terms energy: -27.358947 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -39.621517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.621517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.621517 (E_RNA) where: Base-Base interactions energy: -10.588 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.022 local terms energy: -29.011382 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -29.151846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.151846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.151846 (E_RNA) where: Base-Base interactions energy: -6.774 where: short stacking energy: -6.774 Base-Backbone interact. energy: -0.009 local terms energy: -22.368631 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: 1.144 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: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -30.038766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.038766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.038766 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.129 local terms energy: -22.345082 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -30.435788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.435788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.435788 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.000 local terms energy: -20.929929 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -29.594772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.594772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.594772 (E_RNA) where: Base-Base interactions energy: -5.577 where: short stacking energy: -5.577 Base-Backbone interact. energy: -0.027 local terms energy: -23.990944 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -0.081 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: 1 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -27.750989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.750989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.750989 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.071 local terms energy: -20.212321 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -2.873 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: 0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -28.927157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.927157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.927157 (E_RNA) where: Base-Base interactions energy: -4.868 where: short stacking energy: -4.868 Base-Backbone interact. energy: -0.190 local terms energy: -23.869016 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: 0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -39.467465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.467465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.467465 (E_RNA) where: Base-Base interactions energy: -14.577 where: short stacking energy: -14.577 Base-Backbone interact. energy: -0.002 local terms energy: -24.887962 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -0.102 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: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -38.752830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.752830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.752830 (E_RNA) where: Base-Base interactions energy: -9.040 where: short stacking energy: -9.040 Base-Backbone interact. energy: -0.000 local terms energy: -29.713181 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -4.703 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: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -33.858167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.858167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.858167 (E_RNA) where: Base-Base interactions energy: -7.283 where: short stacking energy: -7.283 Base-Backbone interact. energy: -0.013 local terms energy: -26.561675 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -35.198224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.198224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.198224 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.038 local terms energy: -24.538138 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -2.002 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: 10 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -31.975090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975090 (E_RNA) where: Base-Base interactions energy: -6.792 where: short stacking energy: -6.792 Base-Backbone interact. energy: -0.022 local terms energy: -25.161286 where: bonds (distance) C4'-P energy: -4.635 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -30.968796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.968796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.968796 (E_RNA) where: Base-Base interactions energy: -11.627 where: short stacking energy: -11.627 Base-Backbone interact. energy: -0.045 local terms energy: -19.297139 where: bonds (distance) C4'-P energy: -4.014 bonds (distance) P-C4' energy: -3.961 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -28.457333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.457333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.457333 (E_RNA) where: Base-Base interactions energy: -5.471 where: short stacking energy: -5.471 Base-Backbone interact. energy: -1.072 local terms energy: -21.914424 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -3.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -32.136220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.136220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.136220 (E_RNA) where: Base-Base interactions energy: -7.422 where: short stacking energy: -7.422 Base-Backbone interact. energy: -0.001 local terms energy: -24.713072 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -30.014529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.014529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.014529 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -6.951 Base-Backbone interact. energy: -0.019 local terms energy: -23.044635 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: 0.397 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: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -29.430187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.430187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.430187 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.038 local terms energy: -22.365551 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -40.681264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.681264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.681264 (E_RNA) where: Base-Base interactions energy: -12.072 where: short stacking energy: -12.072 Base-Backbone interact. energy: -0.104 local terms energy: -28.505018 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -38.799464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.799464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.799464 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.005 local terms energy: -28.042701 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -4.348 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: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -33.754243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.754243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.754243 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.012 local terms energy: -25.803721 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.795 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: 10 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -34.254993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.254993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.254993 (E_RNA) where: Base-Base interactions energy: -9.135 where: short stacking energy: -9.135 Base-Backbone interact. energy: 0.194 local terms energy: -25.314152 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -2.130 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: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -32.528041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528041 (E_RNA) where: Base-Base interactions energy: -10.940 where: short stacking energy: -10.940 Base-Backbone interact. energy: -0.052 local terms energy: -21.536328 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -33.631823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.631823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.631823 (E_RNA) where: Base-Base interactions energy: -11.506 where: short stacking energy: -11.506 Base-Backbone interact. energy: -0.032 local terms energy: -22.093116 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -2.636 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: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -30.947443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.947443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.947443 (E_RNA) where: Base-Base interactions energy: -6.881 where: short stacking energy: -6.881 Base-Backbone interact. energy: -0.002 local terms energy: -24.064104 where: bonds (distance) C4'-P energy: -4.693 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -34.400464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.400464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.400464 (E_RNA) where: Base-Base interactions energy: -14.019 where: short stacking energy: -14.019 Base-Backbone interact. energy: -0.000 local terms energy: -20.380956 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -1.832 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: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -30.635353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.635353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.635353 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.573 Base-Backbone interact. energy: -0.028 local terms energy: -22.034491 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -6.100 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: 10, replica: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -30.033650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033650 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.001 local terms energy: -22.228501 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -41.358747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358747 (E_RNA) where: Base-Base interactions energy: -10.284 where: short stacking energy: -10.284 Base-Backbone interact. energy: -0.000 local terms energy: -31.074995 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -7.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -40.413719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.413719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.413719 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.056 local terms energy: -28.084219 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -2.990 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: 3, replica: 10 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -33.803831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.803831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.803831 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.010 local terms energy: -22.790209 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -4.121 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -39.905651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.905651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.905651 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.000 local terms energy: -30.094056 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -34.658213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.658213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.658213 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.023 local terms energy: -26.951647 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -4.380 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: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -34.657458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.657458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.657458 (E_RNA) where: Base-Base interactions energy: -5.151 where: short stacking energy: -5.151 Base-Backbone interact. energy: -0.000 local terms energy: -29.506826 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -5.525 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: 7, replica: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -32.465997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.465997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.465997 (E_RNA) where: Base-Base interactions energy: -6.523 where: short stacking energy: -6.523 Base-Backbone interact. energy: -0.008 local terms energy: -25.935933 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -31.507232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.507232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.507232 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.026 local terms energy: -24.613787 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -31.895926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.895926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.895926 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.003 local terms energy: -22.088916 where: bonds (distance) C4'-P energy: -4.946 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.327 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: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -30.347655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.347655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.347655 (E_RNA) where: Base-Base interactions energy: -3.325 where: short stacking energy: -3.325 Base-Backbone interact. energy: -0.182 local terms energy: -26.840788 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -2.876 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: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -43.187762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.187762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.187762 (E_RNA) where: Base-Base interactions energy: -14.237 where: short stacking energy: -14.237 Base-Backbone interact. energy: -0.090 local terms energy: -28.860695 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -37.279742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.279742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.279742 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.000 local terms energy: -26.416226 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -2.035 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: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -37.696996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696996 (E_RNA) where: Base-Base interactions energy: -12.615 where: short stacking energy: -12.615 Base-Backbone interact. energy: -0.018 local terms energy: -25.063775 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -4.233 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: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -38.465649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.465649 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.003 local terms energy: -25.979880 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.978 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -4.785 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -33.564286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.564286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.564286 (E_RNA) where: Base-Base interactions energy: -8.707 where: short stacking energy: -8.707 Base-Backbone interact. energy: -0.062 local terms energy: -24.795334 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -31.308233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.308233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.308233 (E_RNA) where: Base-Base interactions energy: -7.358 where: short stacking energy: -7.358 Base-Backbone interact. energy: -0.000 local terms energy: -23.950453 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -28.275815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.275815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.275815 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.007 local terms energy: -17.870771 where: bonds (distance) C4'-P energy: -5.041 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -27.183904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.183904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.183904 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.038 local terms energy: -18.392675 where: bonds (distance) C4'-P energy: -2.184 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -1.266 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -29.238336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.238336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.238336 (E_RNA) where: Base-Base interactions energy: -3.289 where: short stacking energy: -3.289 Base-Backbone interact. energy: -0.065 local terms energy: -25.884645 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -32.701235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701235 (E_RNA) where: Base-Base interactions energy: -9.693 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.574 local terms energy: -22.434197 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -36.442865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.442865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.442865 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.178 local terms energy: -26.541183 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.169 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: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -34.393588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.393588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.393588 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.001 local terms energy: -27.051719 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -39.287969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.287969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.287969 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.009 local terms energy: -27.965851 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -32.554877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.554877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.554877 (E_RNA) where: Base-Base interactions energy: -9.845 where: short stacking energy: -9.845 Base-Backbone interact. energy: -0.002 local terms energy: -22.707224 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: 0.016 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -37.370891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.370891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.370891 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -8.053 Base-Backbone interact. energy: -0.003 local terms energy: -27.749378 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -31.039544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.039544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.039544 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -5.394 Base-Backbone interact. energy: -0.114 local terms energy: -23.214354 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -31.132431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.132431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.132431 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.327 Base-Backbone interact. energy: -0.433 local terms energy: -23.221478 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -29.249234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.249234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.249234 (E_RNA) where: Base-Base interactions energy: -5.001 where: short stacking energy: -3.787 Base-Backbone interact. energy: -0.003 local terms energy: -24.245482 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -1.240 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -28.356839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.356839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.356839 (E_RNA) where: Base-Base interactions energy: -5.024 where: short stacking energy: -2.678 Base-Backbone interact. energy: -0.218 local terms energy: -23.114884 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -0.749 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -30.938255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.938255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.938255 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.033 local terms energy: -20.455554 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -35.452856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.452856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.452856 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.188 local terms energy: -26.257292 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -37.963226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.963226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.963226 (E_RNA) where: Base-Base interactions energy: -11.775 where: short stacking energy: -11.775 Base-Backbone interact. energy: -0.004 local terms energy: -26.184318 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -3.625 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -34.412304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.412304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.412304 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -10.434 Base-Backbone interact. energy: -0.078 local terms energy: -23.900021 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -4.059 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: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -38.543171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.543171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.543171 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.000 local terms energy: -26.912025 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.497 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: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -32.530618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.530618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.530618 (E_RNA) where: Base-Base interactions energy: -12.236 where: short stacking energy: -12.236 Base-Backbone interact. energy: 0.280 local terms energy: -20.573729 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -3.942 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -30.341576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.341576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.341576 (E_RNA) where: Base-Base interactions energy: -4.382 where: short stacking energy: -4.382 Base-Backbone interact. energy: -0.023 local terms energy: -25.936285 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -29.919591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919591 (E_RNA) where: Base-Base interactions energy: -8.466 where: short stacking energy: -8.466 Base-Backbone interact. energy: -0.001 local terms energy: -21.453069 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -2.632 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -1.494 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: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -31.714367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.714367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.714367 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -5.481 Base-Backbone interact. energy: -0.000 local terms energy: -23.974640 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -0.642 flat angles P-C4'-P energy: -5.231 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: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -29.056060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.056060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.056060 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.007 local terms energy: -21.630475 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -27.411324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.411324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.411324 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.140 local terms energy: -19.714454 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: 2.602 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: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -46.228077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.228077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.228077 (E_RNA) where: Base-Base interactions energy: -11.927 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.000 local terms energy: -34.301322 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -6.841 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: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -40.824677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.824677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.824677 (E_RNA) where: Base-Base interactions energy: -14.613 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.000 local terms energy: -26.211537 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -41.244676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.244676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.244676 (E_RNA) where: Base-Base interactions energy: -12.730 where: short stacking energy: -12.730 Base-Backbone interact. energy: -0.069 local terms energy: -28.445862 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -39.122815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.122815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.122815 (E_RNA) where: Base-Base interactions energy: -14.082 where: short stacking energy: -14.082 Base-Backbone interact. energy: -0.000 local terms energy: -25.040714 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -3.277 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -32.118057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.118057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.118057 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.082 local terms energy: -24.488289 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -29.542676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.542676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.542676 (E_RNA) where: Base-Base interactions energy: -6.834 where: short stacking energy: -6.834 Base-Backbone interact. energy: -0.083 local terms energy: -22.624874 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -31.762478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762478 (E_RNA) where: Base-Base interactions energy: -13.499 where: short stacking energy: -12.216 Base-Backbone interact. energy: 1.528 local terms energy: -19.791586 where: bonds (distance) C4'-P energy: -3.675 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -28.268874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.268874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.268874 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.016 local terms energy: -19.899778 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: 0.485 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: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -30.608783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.608783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.608783 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.031 local terms energy: -22.208232 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -0.267 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: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -28.865435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.865435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.865435 (E_RNA) where: Base-Base interactions energy: -3.431 where: short stacking energy: -2.464 Base-Backbone interact. energy: -0.548 local terms energy: -24.886104 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: 1.392 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: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -37.247472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.247472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.247472 (E_RNA) where: Base-Base interactions energy: -12.388 where: short stacking energy: -12.388 Base-Backbone interact. energy: -0.001 local terms energy: -24.859234 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -36.194578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.194578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.194578 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.972 Base-Backbone interact. energy: -1.090 local terms energy: -25.232748 where: bonds (distance) C4'-P energy: -6.596 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -1.469 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: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -34.993913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.993913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.993913 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.000 local terms energy: -26.994406 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -34.798658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798658 (E_RNA) where: Base-Base interactions energy: -12.145 where: short stacking energy: -8.399 Base-Backbone interact. energy: -0.043 local terms energy: -22.610644 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -35.005939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.005939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.005939 (E_RNA) where: Base-Base interactions energy: -7.079 where: short stacking energy: -7.079 Base-Backbone interact. energy: -0.037 local terms energy: -27.890164 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -1.659 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: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -32.273207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.273207 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.000 local terms energy: -24.139604 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -1.956 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -31.814003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.814003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.814003 (E_RNA) where: Base-Base interactions energy: -6.244 where: short stacking energy: -6.244 Base-Backbone interact. energy: 0.565 local terms energy: -26.135593 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -27.661859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.661859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.661859 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: 0.270 local terms energy: -20.572314 where: bonds (distance) C4'-P energy: -2.784 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -0.079 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: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -30.026422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.026422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.026422 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.114 local terms energy: -18.009191 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -0.688 tors. eta vs tors. theta energy: -0.559 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: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -29.480691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.480691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.480691 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.092 local terms energy: -22.945817 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -1.264 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: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -38.811708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.811708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.811708 (E_RNA) where: Base-Base interactions energy: -10.769 where: short stacking energy: -10.769 Base-Backbone interact. energy: -0.012 local terms energy: -28.030620 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -36.083721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.083721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.083721 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -8.633 Base-Backbone interact. energy: -0.001 local terms energy: -27.449574 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -34.003472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.003472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.003472 (E_RNA) where: Base-Base interactions energy: -10.944 where: short stacking energy: -8.804 Base-Backbone interact. energy: -1.396 local terms energy: -21.663223 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -33.672825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.672825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.672825 (E_RNA) where: Base-Base interactions energy: -6.733 where: short stacking energy: -6.733 Base-Backbone interact. energy: -0.001 local terms energy: -26.938855 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.194 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: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -36.082021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.082021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.082021 (E_RNA) where: Base-Base interactions energy: -9.129 where: short stacking energy: -9.129 Base-Backbone interact. energy: -0.009 local terms energy: -26.943831 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -0.674 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: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -33.072748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.072748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.072748 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -9.001 Base-Backbone interact. energy: -0.000 local terms energy: -24.072043 where: bonds (distance) C4'-P energy: -2.706 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -30.275992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.275992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.275992 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.990 Base-Backbone interact. energy: -0.008 local terms energy: -20.572326 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.896 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: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -27.834929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.834929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.834929 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.007 local terms energy: -19.921676 where: bonds (distance) C4'-P energy: -3.518 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -28.262254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262254 (E_RNA) where: Base-Base interactions energy: -7.891 where: short stacking energy: -7.891 Base-Backbone interact. energy: -0.030 local terms energy: -20.340367 where: bonds (distance) C4'-P energy: -4.076 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -0.624 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: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -30.009380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.009380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.009380 (E_RNA) where: Base-Base interactions energy: -4.194 where: short stacking energy: -4.194 Base-Backbone interact. energy: -0.009 local terms energy: -25.807011 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -42.075057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.075057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.075057 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.000 local terms energy: -30.666668 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -6.521 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: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -36.706709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.706709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.706709 (E_RNA) where: Base-Base interactions energy: -12.746 where: short stacking energy: -12.746 Base-Backbone interact. energy: -0.116 local terms energy: -23.845158 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -37.683902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683902 (E_RNA) where: Base-Base interactions energy: -10.595 where: short stacking energy: -10.595 Base-Backbone interact. energy: -0.060 local terms energy: -27.029154 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -36.175112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.175112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.175112 (E_RNA) where: Base-Base interactions energy: -10.768 where: short stacking energy: -10.768 Base-Backbone interact. energy: 0.646 local terms energy: -26.053195 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.483 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: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -37.668122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.668122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.668122 (E_RNA) where: Base-Base interactions energy: -9.911 where: short stacking energy: -9.911 Base-Backbone interact. energy: -0.000 local terms energy: -27.757259 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.168 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: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -29.623561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.623561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.623561 (E_RNA) where: Base-Base interactions energy: -6.415 where: short stacking energy: -6.415 Base-Backbone interact. energy: -0.118 local terms energy: -23.090706 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: 0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -30.336331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336331 (E_RNA) where: Base-Base interactions energy: -6.640 where: short stacking energy: -6.640 Base-Backbone interact. energy: -0.225 local terms energy: -23.470832 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -1.399 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: 9 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -33.822243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.822243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.822243 (E_RNA) where: Base-Base interactions energy: -7.209 where: short stacking energy: -7.209 Base-Backbone interact. energy: -0.001 local terms energy: -26.611849 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: 0.910 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: 27 Temperature: 1.300000 Total energy: -33.161107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.161107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.161107 (E_RNA) where: Base-Base interactions energy: -9.071 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.000 local terms energy: -24.089939 where: bonds (distance) C4'-P energy: -4.766 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -28.328293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.328293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.328293 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.139 local terms energy: -19.244293 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.578 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: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -38.702095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702095 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.000 local terms energy: -28.747556 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.408 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: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -42.400430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.400430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.400430 (E_RNA) where: Base-Base interactions energy: -14.546 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.001 local terms energy: -27.853805 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -3.173 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: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -38.039037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039037 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.000 local terms energy: -24.160678 where: bonds (distance) C4'-P energy: -5.280 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -2.181 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: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -36.015804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.015804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.015804 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -9.640 Base-Backbone interact. energy: -0.043 local terms energy: -26.332767 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -2.129 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: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -31.617852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617852 (E_RNA) where: Base-Base interactions energy: -9.385 where: short stacking energy: -9.385 Base-Backbone interact. energy: -0.107 local terms energy: -22.125649 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: 0.744 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: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -31.805562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805562 (E_RNA) where: Base-Base interactions energy: -9.302 where: short stacking energy: -9.302 Base-Backbone interact. energy: -0.053 local terms energy: -22.450484 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -29.260687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.260687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.260687 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.004 local terms energy: -22.326297 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -1.801 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: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -30.536207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.536207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.536207 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -6.353 Base-Backbone interact. energy: -0.038 local terms energy: -24.145312 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -30.764909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764909 (E_RNA) where: Base-Base interactions energy: -9.693 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.001 local terms energy: -21.071501 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.301 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: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -29.017139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.017139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.017139 (E_RNA) where: Base-Base interactions energy: -8.801 where: short stacking energy: -8.429 Base-Backbone interact. energy: -0.029 local terms energy: -20.187235 where: bonds (distance) C4'-P energy: -2.966 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: 0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -35.953993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.953993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.953993 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: -0.041 local terms energy: -24.092039 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -1.459 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: 29 Temperature: 0.950000 Total energy: -36.377096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.377096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.377096 (E_RNA) where: Base-Base interactions energy: -9.863 where: short stacking energy: -9.863 Base-Backbone interact. energy: -0.000 local terms energy: -26.513912 where: bonds (distance) C4'-P energy: -3.049 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -34.749794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.749794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.749794 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.544 Base-Backbone interact. energy: -0.000 local terms energy: -27.205701 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -31.667319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667319 (E_RNA) where: Base-Base interactions energy: -7.260 where: short stacking energy: -7.260 Base-Backbone interact. energy: 1.115 local terms energy: -25.522475 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -1.909 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: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -35.732203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.732203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.732203 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.000 local terms energy: -25.438690 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -1.758 tors. eta vs tors. theta energy: -5.449 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: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -30.809276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.809276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.809276 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.123 local terms energy: -23.121509 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -31.426124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.426124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.426124 (E_RNA) where: Base-Base interactions energy: -6.261 where: short stacking energy: -6.261 Base-Backbone interact. energy: -0.007 local terms energy: -25.157305 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.372 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: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -32.185918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.185918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.185918 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.027 local terms energy: -20.742130 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -32.061182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.061182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.061182 (E_RNA) where: Base-Base interactions energy: -8.797 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.191 local terms energy: -23.073661 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -4.467 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -28.425693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425693 (E_RNA) where: Base-Base interactions energy: -3.801 where: short stacking energy: -3.801 Base-Backbone interact. energy: -0.001 local terms energy: -24.623681 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -36.022123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022123 (E_RNA) where: Base-Base interactions energy: -8.092 where: short stacking energy: -8.092 Base-Backbone interact. energy: -0.004 local terms energy: -27.926056 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -35.822584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.822584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.822584 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.031 local terms energy: -25.451094 where: bonds (distance) C4'-P energy: -4.100 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -32.291197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.291197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.291197 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.021 local terms energy: -24.682971 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -32.231709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.231709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.231709 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.182 local terms energy: -24.679758 where: bonds (distance) C4'-P energy: -4.204 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -2.705 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: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -33.948339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.948339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.948339 (E_RNA) where: Base-Base interactions energy: -10.485 where: short stacking energy: -10.485 Base-Backbone interact. energy: -0.007 local terms energy: -23.456240 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -32.669615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.669615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.669615 (E_RNA) where: Base-Base interactions energy: -9.669 where: short stacking energy: -6.171 Base-Backbone interact. energy: 0.039 local terms energy: -23.039896 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -31.410506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.410506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.410506 (E_RNA) where: Base-Base interactions energy: -5.714 where: short stacking energy: -5.714 Base-Backbone interact. energy: -0.201 local terms energy: -25.495069 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -31.358971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.358971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.358971 (E_RNA) where: Base-Base interactions energy: -8.626 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.002 local terms energy: -22.730701 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -0.379 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -30.848467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.848467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.848467 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.000 local terms energy: -23.282668 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -28.608222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.608222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.608222 (E_RNA) where: Base-Base interactions energy: -3.710 where: short stacking energy: -3.710 Base-Backbone interact. energy: -0.002 local terms energy: -24.896809 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -40.827988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.827988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.827988 (E_RNA) where: Base-Base interactions energy: -12.090 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.029 local terms energy: -28.708659 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.721 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: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -36.743673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.743673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.743673 (E_RNA) where: Base-Base interactions energy: -9.653 where: short stacking energy: -9.653 Base-Backbone interact. energy: -0.040 local terms energy: -27.051135 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -36.469365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.469365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.469365 (E_RNA) where: Base-Base interactions energy: -10.438 where: short stacking energy: -10.438 Base-Backbone interact. energy: -0.014 local terms energy: -26.017488 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -44.820160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820160 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.000 local terms energy: -28.971613 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.624 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -40.366265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.366265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.366265 (E_RNA) where: Base-Base interactions energy: -11.980 where: short stacking energy: -11.980 Base-Backbone interact. energy: -0.098 local terms energy: -28.287852 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.585 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: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -33.108985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.108985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.108985 (E_RNA) where: Base-Base interactions energy: -8.300 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.149 local terms energy: -24.659321 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -1.354 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: 31 Temperature: 1.200000 Total energy: -33.735446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.735446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.735446 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: 0.257 local terms energy: -21.791663 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -1.841 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: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -27.150562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.150562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.150562 (E_RNA) where: Base-Base interactions energy: -3.690 where: short stacking energy: -3.690 Base-Backbone interact. energy: -0.094 local terms energy: -23.365954 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: 0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -36.454915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.454915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.454915 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -26.301559 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -4.266 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: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -30.987641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.987641 (E_RNA) where: Base-Base interactions energy: -6.176 where: short stacking energy: -6.176 Base-Backbone interact. energy: -0.004 local terms energy: -24.808138 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -47.142854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.142854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.142854 (E_RNA) where: Base-Base interactions energy: -15.214 where: short stacking energy: -15.214 Base-Backbone interact. energy: -0.000 local terms energy: -31.929056 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -40.584572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.584572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.584572 (E_RNA) where: Base-Base interactions energy: -12.324 where: short stacking energy: -12.324 Base-Backbone interact. energy: -0.041 local terms energy: -28.220030 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -39.604232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604232 (E_RNA) where: Base-Base interactions energy: -13.821 where: short stacking energy: -13.821 Base-Backbone interact. energy: -0.041 local terms energy: -25.741763 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -40.550174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.550174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.550174 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -1.020 local terms energy: -26.811095 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -34.696088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.696088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.696088 (E_RNA) where: Base-Base interactions energy: -9.371 where: short stacking energy: -7.878 Base-Backbone interact. energy: -0.097 local terms energy: -25.227958 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -37.191719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.191719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.191719 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -9.911 Base-Backbone interact. energy: -0.673 local terms energy: -25.310828 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -3.047 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: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -29.667227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.667227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.667227 (E_RNA) where: Base-Base interactions energy: -7.878 where: short stacking energy: -7.878 Base-Backbone interact. energy: 0.649 local terms energy: -22.437392 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: 1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -32.705651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.705651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.705651 (E_RNA) where: Base-Base interactions energy: -9.975 where: short stacking energy: -9.975 Base-Backbone interact. energy: -0.004 local terms energy: -22.727340 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -0.346 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: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -31.635232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.635232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.635232 (E_RNA) where: Base-Base interactions energy: -10.518 where: short stacking energy: -10.518 Base-Backbone interact. energy: -0.117 local terms energy: -21.000929 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -0.850 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -32.523613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523613 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.001 local terms energy: -22.925280 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -37.615951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.615951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.615951 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.000 local terms energy: -25.916942 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -41.796525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.796525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.796525 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -13.382 Base-Backbone interact. energy: -0.063 local terms energy: -28.352073 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -2.907 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: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -38.053655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.053655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.053655 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.049 local terms energy: -26.867570 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -1.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -34.467649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.467649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.467649 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -10.101 Base-Backbone interact. energy: -0.001 local terms energy: -24.865896 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -2.797 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: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -32.228174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.228174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.228174 (E_RNA) where: Base-Base interactions energy: -10.433 where: short stacking energy: -10.433 Base-Backbone interact. energy: -0.054 local terms energy: -21.741966 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -28.703302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.703302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.703302 (E_RNA) where: Base-Base interactions energy: -5.142 where: short stacking energy: -5.142 Base-Backbone interact. energy: 0.449 local terms energy: -24.010146 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -36.054815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.054815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.054815 (E_RNA) where: Base-Base interactions energy: -8.492 where: short stacking energy: -8.492 Base-Backbone interact. energy: -0.000 local terms energy: -27.562556 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -32.754341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.754341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.754341 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.007 local terms energy: -25.537348 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -26.994423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.994423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.994423 (E_RNA) where: Base-Base interactions energy: -2.262 where: short stacking energy: -2.262 Base-Backbone interact. energy: -0.018 local terms energy: -24.714463 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -27.600861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.600861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.600861 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.006 local terms energy: -20.936221 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.757 flat angles C4'-P-C4' energy: -2.449 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -2.491 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: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -35.118882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.118882 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.145 local terms energy: -26.576241 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -37.945902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.945902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.945902 (E_RNA) where: Base-Base interactions energy: -8.832 where: short stacking energy: -8.832 Base-Backbone interact. energy: -0.002 local terms energy: -29.112509 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -3.082 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: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -31.914166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914166 (E_RNA) where: Base-Base interactions energy: -9.292 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.108 local terms energy: -22.514167 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -35.662608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662608 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -11.101 Base-Backbone interact. energy: -0.026 local terms energy: -24.536264 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -31.352408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352408 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -9.526 Base-Backbone interact. energy: -0.002 local terms energy: -21.823809 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -33.042389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042389 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.009 local terms energy: -22.975870 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -30.167029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.167029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.167029 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.001 local terms energy: -19.619044 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -30.958626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.958626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.958626 (E_RNA) where: Base-Base interactions energy: -7.375 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.002 local terms energy: -23.580643 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -28.407037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.407037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.407037 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -4.348 Base-Backbone interact. energy: -1.371 local terms energy: -20.214146 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: 2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -29.362509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.362509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.362509 (E_RNA) where: Base-Base interactions energy: -5.372 where: short stacking energy: -5.372 Base-Backbone interact. energy: -0.002 local terms energy: -23.988509 where: bonds (distance) C4'-P energy: -3.497 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -39.886981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.886981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.886981 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.749 Base-Backbone interact. energy: -0.880 local terms energy: -27.257637 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -33.680175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.680175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.680175 (E_RNA) where: Base-Base interactions energy: -11.139 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.012 local terms energy: -22.528912 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -31.468500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.468500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.468500 (E_RNA) where: Base-Base interactions energy: -7.791 where: short stacking energy: -7.791 Base-Backbone interact. energy: -0.201 local terms energy: -23.476627 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -0.513 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: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -30.962769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.962769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.962769 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.099 local terms energy: -21.019897 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -32.346897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.346897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.346897 (E_RNA) where: Base-Base interactions energy: -8.529 where: short stacking energy: -8.529 Base-Backbone interact. energy: -0.562 local terms energy: -23.255049 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -2.585 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: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -33.004829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004829 (E_RNA) where: Base-Base interactions energy: -8.606 where: short stacking energy: -8.606 Base-Backbone interact. energy: 0.213 local terms energy: -24.611331 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -29.417869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.417869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.417869 (E_RNA) where: Base-Base interactions energy: -9.919 where: short stacking energy: -9.919 Base-Backbone interact. energy: -0.097 local terms energy: -19.401660 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: 0.901 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -29.243763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.243763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.243763 (E_RNA) where: Base-Base interactions energy: -3.791 where: short stacking energy: -3.791 Base-Backbone interact. energy: -0.000 local terms energy: -25.452377 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -2.966 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -29.413382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.413382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.413382 (E_RNA) where: Base-Base interactions energy: -7.175 where: short stacking energy: -7.175 Base-Backbone interact. energy: 0.253 local terms energy: -22.490866 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: 2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -30.764082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764082 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.087 local terms energy: -23.464159 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -44.729772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.729772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.729772 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.000 local terms energy: -31.130036 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -5.114 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: 9 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -35.783279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.783279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.783279 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.024 local terms energy: -24.414447 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -34.996055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.996055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.996055 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.000 local terms energy: -26.128159 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -36.210565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.210565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.210565 (E_RNA) where: Base-Base interactions energy: -10.208 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.103 local terms energy: -25.898921 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.276 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -35.043942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.043942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.043942 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.046 local terms energy: -23.314473 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -32.943705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.943705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.943705 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -8.300 Base-Backbone interact. energy: -0.051 local terms energy: -23.771580 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -29.395726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.395726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.395726 (E_RNA) where: Base-Base interactions energy: -5.613 where: short stacking energy: -5.613 Base-Backbone interact. energy: -0.011 local terms energy: -23.772338 where: bonds (distance) C4'-P energy: -3.375 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -2.335 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: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -32.642837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.642837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.642837 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.025 local terms energy: -23.084443 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -0.354 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: 4 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -28.323542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.323542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.323542 (E_RNA) where: Base-Base interactions energy: -4.844 where: short stacking energy: -2.970 Base-Backbone interact. energy: -0.274 local terms energy: -23.205463 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: 1.393 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: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -29.765571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.765571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.765571 (E_RNA) where: Base-Base interactions energy: -5.252 where: short stacking energy: -5.252 Base-Backbone interact. energy: -0.020 local terms energy: -24.492687 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -5.446 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: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -42.294834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.294834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.294834 (E_RNA) where: Base-Base interactions energy: -14.222 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.001 local terms energy: -28.071742 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -6.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -37.557462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.557462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.557462 (E_RNA) where: Base-Base interactions energy: -8.735 where: short stacking energy: -8.735 Base-Backbone interact. energy: -0.093 local terms energy: -28.729158 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -42.235451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.235451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.235451 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.000 local terms energy: -27.152806 where: bonds (distance) C4'-P energy: -4.986 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -6.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -33.706031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.706031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.706031 (E_RNA) where: Base-Base interactions energy: -9.778 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.049 local terms energy: -23.879540 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -33.107005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.107005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.107005 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -10.057 Base-Backbone interact. energy: -0.157 local terms energy: -22.892884 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -2.622 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -32.315656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.315656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.315656 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.000 local terms energy: -20.580996 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -4.926 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -34.141666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.141666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.141666 (E_RNA) where: Base-Base interactions energy: -7.375 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.154 local terms energy: -26.612696 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -3.611 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: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -36.528149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.528149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.528149 (E_RNA) where: Base-Base interactions energy: -10.351 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.007 local terms energy: -26.169731 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -1.593 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: 4 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -37.570594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.570594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.570594 (E_RNA) where: Base-Base interactions energy: -9.403 where: short stacking energy: -9.403 Base-Backbone interact. energy: -0.003 local terms energy: -28.164795 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -4.577 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: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -28.743890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.743890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.743890 (E_RNA) where: Base-Base interactions energy: -6.868 where: short stacking energy: -6.868 Base-Backbone interact. energy: -0.134 local terms energy: -21.742546 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -42.807346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.807346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.807346 (E_RNA) where: Base-Base interactions energy: -13.927 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.000 local terms energy: -28.880354 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -4.056 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -38.396773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.396773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.396773 (E_RNA) where: Base-Base interactions energy: -11.184 where: short stacking energy: -11.184 Base-Backbone interact. energy: -0.000 local terms energy: -27.212844 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.078 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -5.422 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: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -37.116439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.116439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.116439 (E_RNA) where: Base-Base interactions energy: -11.349 where: short stacking energy: -11.349 Base-Backbone interact. energy: -0.063 local terms energy: -25.704492 where: bonds (distance) C4'-P energy: -6.895 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -33.646730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.646730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.646730 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.002 local terms energy: -23.515866 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -4.109 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -37.052967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.052967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.052967 (E_RNA) where: Base-Base interactions energy: -11.629 where: short stacking energy: -11.629 Base-Backbone interact. energy: -0.010 local terms energy: -25.414452 where: bonds (distance) C4'-P energy: -5.086 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -31.181479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.181479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.181479 (E_RNA) where: Base-Base interactions energy: -10.546 where: short stacking energy: -9.406 Base-Backbone interact. energy: -0.002 local terms energy: -20.633361 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -0.923 tors. eta vs tors. theta energy: -0.269 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: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -33.765407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.765407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.765407 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.073 local terms energy: -23.066472 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -1.460 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: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -26.936079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.936079 (E_RNA) where: Base-Base interactions energy: -2.032 where: short stacking energy: -2.032 Base-Backbone interact. energy: -0.013 local terms energy: -24.891577 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -0.358 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: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -29.291733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.291733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.291733 (E_RNA) where: Base-Base interactions energy: -8.930 where: short stacking energy: -8.930 Base-Backbone interact. energy: -0.004 local terms energy: -20.357863 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.981 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: 0.051 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -27.055647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.055647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.055647 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: -4.477 Base-Backbone interact. energy: -1.054 local terms energy: -21.524687 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: 3.043 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: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -42.694877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.694877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.694877 (E_RNA) where: Base-Base interactions energy: -12.008 where: short stacking energy: -12.008 Base-Backbone interact. energy: -0.091 local terms energy: -30.595258 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -4.810 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: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -40.351321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.351321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.351321 (E_RNA) where: Base-Base interactions energy: -14.759 where: short stacking energy: -14.759 Base-Backbone interact. energy: -0.010 local terms energy: -25.581854 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.877 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: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -33.389044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.389044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.389044 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.000 local terms energy: -26.354346 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -39.419828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.419828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.419828 (E_RNA) where: Base-Base interactions energy: -10.265 where: short stacking energy: -10.265 Base-Backbone interact. energy: -0.059 local terms energy: -29.095184 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -4.294 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -33.852079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.852079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.852079 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -8.420 Base-Backbone interact. energy: -0.926 local terms energy: -22.583305 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -32.355795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.355795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.355795 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.064 local terms energy: -24.756350 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -30.231210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.231210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.231210 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: -0.099 local terms energy: -19.916893 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -3.688 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: 0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -31.516850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.516850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.516850 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.004 local terms energy: -24.195196 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -2.962 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -29.624733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.624733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.624733 (E_RNA) where: Base-Base interactions energy: -3.621 where: short stacking energy: -3.621 Base-Backbone interact. energy: -0.000 local terms energy: -26.004048 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: 0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -27.916908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.916908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.916908 (E_RNA) where: Base-Base interactions energy: -7.009 where: short stacking energy: -7.009 Base-Backbone interact. energy: -0.048 local terms energy: -20.859983 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: 1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -39.438415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.438415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.438415 (E_RNA) where: Base-Base interactions energy: -13.865 where: short stacking energy: -11.944 Base-Backbone interact. energy: -0.088 local terms energy: -25.485764 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -3.082 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: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -32.594379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.594379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.594379 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -0.002 local terms energy: -25.697820 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -33.288437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.288437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.288437 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.029 local terms energy: -23.122748 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: 1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -40.943946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943946 (E_RNA) where: Base-Base interactions energy: -13.114 where: short stacking energy: -13.114 Base-Backbone interact. energy: -0.000 local terms energy: -27.829491 where: bonds (distance) C4'-P energy: -4.224 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -3.766 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: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -34.003763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.003763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.003763 (E_RNA) where: Base-Base interactions energy: -9.545 where: short stacking energy: -9.545 Base-Backbone interact. energy: -0.081 local terms energy: -24.377777 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.735 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: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -33.725331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.725331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.725331 (E_RNA) where: Base-Base interactions energy: -6.413 where: short stacking energy: -5.943 Base-Backbone interact. energy: -0.014 local terms energy: -27.298444 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -3.151 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: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -30.513923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.513923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.513923 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: -6.865 Base-Backbone interact. energy: -0.403 local terms energy: -24.592016 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -3.163 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -2.371 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: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -29.595244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.595244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.595244 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: 0.855 local terms energy: -21.123837 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -3.920 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -2.212 tors. eta vs tors. theta energy: -2.731 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: 4 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -28.190245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.190245 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: -3.947 Base-Backbone interact. energy: -0.005 local terms energy: -24.237460 where: bonds (distance) C4'-P energy: -5.239 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -30.257197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.257197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.257197 (E_RNA) where: Base-Base interactions energy: -10.926 where: short stacking energy: -10.926 Base-Backbone interact. energy: -0.018 local terms energy: -19.313182 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -1.860 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -3.236 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: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -36.893042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.893042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.893042 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.000 local terms energy: -26.929348 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -38.872665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.872665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.872665 (E_RNA) where: Base-Base interactions energy: -9.967 where: short stacking energy: -9.967 Base-Backbone interact. energy: -0.001 local terms energy: -28.905258 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -4.012 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: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -34.881736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881736 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.065 local terms energy: -23.591514 where: bonds (distance) C4'-P energy: -4.436 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -1.786 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: 41 Temperature: 1.050000 Total energy: -37.160758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.160758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.160758 (E_RNA) where: Base-Base interactions energy: -7.361 where: short stacking energy: -7.361 Base-Backbone interact. energy: -0.000 local terms energy: -29.800184 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -35.357585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357585 (E_RNA) where: Base-Base interactions energy: -11.392 where: short stacking energy: -11.392 Base-Backbone interact. energy: -0.024 local terms energy: -23.941636 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -4.215 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -41.842882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.842882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.842882 (E_RNA) where: Base-Base interactions energy: -12.732 where: short stacking energy: -12.732 Base-Backbone interact. energy: -0.000 local terms energy: -29.111079 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -4.993 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -36.560349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.560349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.560349 (E_RNA) where: Base-Base interactions energy: -12.179 where: short stacking energy: -11.457 Base-Backbone interact. energy: -0.000 local terms energy: -24.381297 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -34.602415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.602415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.602415 (E_RNA) where: Base-Base interactions energy: -8.915 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.000 local terms energy: -25.686858 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -1.192 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -29.774867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.774867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.774867 (E_RNA) where: Base-Base interactions energy: -7.104 where: short stacking energy: -7.104 Base-Backbone interact. energy: 1.058 local terms energy: -23.728947 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.620 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -25.449838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.449838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.449838 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: -3.758 Base-Backbone interact. energy: -0.074 local terms energy: -19.399116 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: 1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -39.191848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191848 (E_RNA) where: Base-Base interactions energy: -12.259 where: short stacking energy: -12.259 Base-Backbone interact. energy: -0.100 local terms energy: -26.833443 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -35.343453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.343453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.343453 (E_RNA) where: Base-Base interactions energy: -10.628 where: short stacking energy: -10.628 Base-Backbone interact. energy: -0.071 local terms energy: -24.644520 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -1.832 tors. eta vs tors. theta energy: -3.123 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: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -40.230679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.230679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.230679 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.000 local terms energy: -29.146944 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -4.723 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: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -38.907353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.907353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.907353 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.000 local terms energy: -27.357202 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -33.403613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.403613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.403613 (E_RNA) where: Base-Base interactions energy: -9.528 where: short stacking energy: -9.528 Base-Backbone interact. energy: -0.015 local terms energy: -23.860411 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -0.983 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -34.545331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.545331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.545331 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.000 local terms energy: -23.265630 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -1.636 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -34.577327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.577327 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.066 local terms energy: -22.626124 where: bonds (distance) C4'-P energy: -3.534 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -30.677503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.677503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.677503 (E_RNA) where: Base-Base interactions energy: -10.042 where: short stacking energy: -10.042 Base-Backbone interact. energy: -0.017 local terms energy: -20.618354 where: bonds (distance) C4'-P energy: -3.533 bonds (distance) P-C4' energy: -5.199 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -2.109 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: 9, replica: 10 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -30.294091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.294091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.294091 (E_RNA) where: Base-Base interactions energy: -4.010 where: short stacking energy: -4.010 Base-Backbone interact. energy: -0.020 local terms energy: -26.263832 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -26.665785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.665785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.665785 (E_RNA) where: Base-Base interactions energy: -5.548 where: short stacking energy: -5.548 Base-Backbone interact. energy: -0.001 local terms energy: -21.116768 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -35.922332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.922332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.922332 (E_RNA) where: Base-Base interactions energy: -12.054 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.012 local terms energy: -23.856193 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.446 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: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -38.697927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.697927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.697927 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.007 local terms energy: -27.009399 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -39.639684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.639684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.639684 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.000 local terms energy: -28.239506 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -34.109921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.109921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.109921 (E_RNA) where: Base-Base interactions energy: -7.313 where: short stacking energy: -7.313 Base-Backbone interact. energy: -0.073 local terms energy: -26.724232 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -1.078 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: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -36.244178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.244178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.244178 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.000 local terms energy: -25.527750 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -4.129 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: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -30.494849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.494849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.494849 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.120 local terms energy: -21.738832 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -31.621402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.621402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.621402 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.124 local terms energy: -22.670845 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -7.029 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: 0.722 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: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -27.063619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.063619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.063619 (E_RNA) where: Base-Base interactions energy: -3.945 where: short stacking energy: -3.945 Base-Backbone interact. energy: -0.084 local terms energy: -23.034559 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -29.607854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.607854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.607854 (E_RNA) where: Base-Base interactions energy: -6.466 where: short stacking energy: -6.466 Base-Backbone interact. energy: -0.053 local terms energy: -23.088075 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -28.553398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.553398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.553398 (E_RNA) where: Base-Base interactions energy: -3.743 where: short stacking energy: -3.743 Base-Backbone interact. energy: -0.002 local terms energy: -24.808039 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -2.750 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -38.925212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.925212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.925212 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.001 local terms energy: -27.905965 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -39.105605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.105605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.105605 (E_RNA) where: Base-Base interactions energy: -15.863 where: short stacking energy: -15.863 Base-Backbone interact. energy: -0.029 local terms energy: -23.214227 where: bonds (distance) C4'-P energy: -4.043 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -35.082032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082032 (E_RNA) where: Base-Base interactions energy: -10.463 where: short stacking energy: -10.463 Base-Backbone interact. energy: -0.000 local terms energy: -24.619059 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -34.524099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524099 (E_RNA) where: Base-Base interactions energy: -9.217 where: short stacking energy: -9.217 Base-Backbone interact. energy: -0.090 local terms energy: -25.216536 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -37.044481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.044481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.044481 (E_RNA) where: Base-Base interactions energy: -10.410 where: short stacking energy: -10.410 Base-Backbone interact. energy: -0.002 local terms energy: -26.632159 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -4.646 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: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -33.641003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.641003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.641003 (E_RNA) where: Base-Base interactions energy: -8.460 where: short stacking energy: -8.460 Base-Backbone interact. energy: -0.000 local terms energy: -25.181088 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -28.488734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.488734 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.111 local terms energy: -21.128519 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -3.207 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: 8, replica: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -28.695476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.695476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.695476 (E_RNA) where: Base-Base interactions energy: -6.144 where: short stacking energy: -3.001 Base-Backbone interact. energy: -0.116 local terms energy: -22.435755 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: 2.596 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: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -31.411293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.411293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.411293 (E_RNA) where: Base-Base interactions energy: -9.660 where: short stacking energy: -9.660 Base-Backbone interact. energy: -0.000 local terms energy: -21.750637 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -2.978 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: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -27.259363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259363 (E_RNA) where: Base-Base interactions energy: -3.748 where: short stacking energy: -3.748 Base-Backbone interact. energy: -1.332 local terms energy: -22.179140 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: 3.087 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: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -39.809246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.809246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.809246 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -1.209 local terms energy: -25.939381 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -36.696803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.696803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.696803 (E_RNA) where: Base-Base interactions energy: -12.653 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.083 local terms energy: -23.960823 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: 0.042 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -37.605550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.605550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.605550 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.002 local terms energy: -24.994433 where: bonds (distance) C4'-P energy: -4.478 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -4.458 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: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -33.638223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.638223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.638223 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -1.061 local terms energy: -23.638331 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.516 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -31.938432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938432 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.005 local terms energy: -24.718635 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -5.753 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -35.211668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.211668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.211668 (E_RNA) where: Base-Base interactions energy: -10.875 where: short stacking energy: -10.875 Base-Backbone interact. energy: -0.000 local terms energy: -24.336357 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -29.232990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.232990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.232990 (E_RNA) where: Base-Base interactions energy: -4.958 where: short stacking energy: -5.258 Base-Backbone interact. energy: -0.102 local terms energy: -24.173090 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -29.507151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.507151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.507151 (E_RNA) where: Base-Base interactions energy: -3.097 where: short stacking energy: -3.097 Base-Backbone interact. energy: -0.000 local terms energy: -26.410016 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -28.064321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.064321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.064321 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.073 local terms energy: -22.100237 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -2.617 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -35.867088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.867088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.867088 (E_RNA) where: Base-Base interactions energy: -6.866 where: short stacking energy: -6.866 Base-Backbone interact. energy: -0.000 local terms energy: -29.001385 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -43.035929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.035929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.035929 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.000 local terms energy: -28.466398 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -33.027093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.027093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.027093 (E_RNA) where: Base-Base interactions energy: -6.877 where: short stacking energy: -6.877 Base-Backbone interact. energy: -0.100 local terms energy: -26.049317 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -35.107622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.107622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.107622 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: -5.673 Base-Backbone interact. energy: -0.101 local terms energy: -29.425886 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -35.725172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.725172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.725172 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.000 local terms energy: -24.992367 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -34.873419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873419 (E_RNA) where: Base-Base interactions energy: -10.452 where: short stacking energy: -10.452 Base-Backbone interact. energy: -0.000 local terms energy: -24.421456 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.381 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -30.875126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.875126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.875126 (E_RNA) where: Base-Base interactions energy: -10.172 where: short stacking energy: -10.172 Base-Backbone interact. energy: -0.000 local terms energy: -20.702822 where: bonds (distance) C4'-P energy: -2.929 bonds (distance) P-C4' energy: -6.461 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -31.554840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554840 (E_RNA) where: Base-Base interactions energy: -6.202 where: short stacking energy: -6.202 Base-Backbone interact. energy: -0.000 local terms energy: -25.352458 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -36.956776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.956776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.956776 (E_RNA) where: Base-Base interactions energy: -10.335 where: short stacking energy: -10.335 Base-Backbone interact. energy: -0.000 local terms energy: -26.621287 where: bonds (distance) C4'-P energy: -3.419 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -27.382322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.382322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.382322 (E_RNA) where: Base-Base interactions energy: -8.717 where: short stacking energy: -8.717 Base-Backbone interact. energy: -0.071 local terms energy: -18.594185 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -2.639 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -2.130 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: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -33.212977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.212977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.212977 (E_RNA) where: Base-Base interactions energy: -10.037 where: short stacking energy: -10.037 Base-Backbone interact. energy: -0.000 local terms energy: -23.175692 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -40.432845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.432845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.432845 (E_RNA) where: Base-Base interactions energy: -15.348 where: short stacking energy: -14.113 Base-Backbone interact. energy: -0.055 local terms energy: -25.029068 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -40.498444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.498444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.498444 (E_RNA) where: Base-Base interactions energy: -13.560 where: short stacking energy: -13.560 Base-Backbone interact. energy: -0.090 local terms energy: -26.847668 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -35.437845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.437845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.437845 (E_RNA) where: Base-Base interactions energy: -9.103 where: short stacking energy: -9.103 Base-Backbone interact. energy: -0.000 local terms energy: -26.335082 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -36.338657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.338657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.338657 (E_RNA) where: Base-Base interactions energy: -14.550 where: short stacking energy: -14.550 Base-Backbone interact. energy: -0.073 local terms energy: -21.715992 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -2.948 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -32.457196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.457196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.457196 (E_RNA) where: Base-Base interactions energy: -5.921 where: short stacking energy: -5.921 Base-Backbone interact. energy: 0.059 local terms energy: -26.595255 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -3.870 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: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -34.552133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.552133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.552133 (E_RNA) where: Base-Base interactions energy: -12.356 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.006 local terms energy: -22.189967 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -1.640 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: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -28.851501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.851501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.851501 (E_RNA) where: Base-Base interactions energy: -11.845 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.100 local terms energy: -16.905545 where: bonds (distance) C4'-P energy: -4.208 bonds (distance) P-C4' energy: -3.877 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -35.957848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.957848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.957848 (E_RNA) where: Base-Base interactions energy: -11.795 where: short stacking energy: -11.795 Base-Backbone interact. energy: -0.000 local terms energy: -24.162346 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -31.429443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.429443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.429443 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -3.765 Base-Backbone interact. energy: -0.101 local terms energy: -23.523453 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.047 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -36.756779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.756779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.756779 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.000 local terms energy: -25.627209 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -2.006 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -38.474012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.474012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.474012 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.525 Base-Backbone interact. energy: -0.069 local terms energy: -27.880083 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -3.472 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: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -35.412760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.412760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.412760 (E_RNA) where: Base-Base interactions energy: -9.857 where: short stacking energy: -9.857 Base-Backbone interact. energy: -0.000 local terms energy: -25.555794 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -0.604 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: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -40.324417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.324417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.324417 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.000 local terms energy: -29.899058 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -40.363193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.363193 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.000 local terms energy: -25.086411 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -4.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -33.205263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205263 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.001 local terms energy: -24.414293 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -4.852 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: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -30.123038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.123038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.123038 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.003 local terms energy: -22.431447 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: 0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -32.026529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.026529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.026529 (E_RNA) where: Base-Base interactions energy: -7.188 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.011 local terms energy: -24.827856 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -2.168 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: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -33.968593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968593 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.075 Base-Backbone interact. energy: -0.020 local terms energy: -26.873360 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -27.943720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.943720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.943720 (E_RNA) where: Base-Base interactions energy: -3.826 where: short stacking energy: -3.826 Base-Backbone interact. energy: -0.057 local terms energy: -24.061029 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -28.397410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397410 (E_RNA) where: Base-Base interactions energy: -7.769 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.121 local terms energy: -20.506736 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -2.478 flat angles P-C4'-P energy: -1.116 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -41.217280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.217280 (E_RNA) where: Base-Base interactions energy: -13.871 where: short stacking energy: -13.871 Base-Backbone interact. energy: -0.077 local terms energy: -27.269547 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -40.595267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.595267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.595267 (E_RNA) where: Base-Base interactions energy: -11.082 where: short stacking energy: -11.082 Base-Backbone interact. energy: -0.001 local terms energy: -29.512795 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -38.829242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829242 (E_RNA) where: Base-Base interactions energy: -11.320 where: short stacking energy: -11.320 Base-Backbone interact. energy: -0.100 local terms energy: -27.409357 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -32.284942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.284942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.284942 (E_RNA) where: Base-Base interactions energy: -8.301 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.084 local terms energy: -23.900538 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -32.925694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.925694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.925694 (E_RNA) where: Base-Base interactions energy: -9.148 where: short stacking energy: -9.148 Base-Backbone interact. energy: -0.353 local terms energy: -23.425319 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -30.251341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.251341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.251341 (E_RNA) where: Base-Base interactions energy: -9.106 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.138 local terms energy: -21.006972 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: 1.237 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: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -34.182483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.182483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.182483 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.003 local terms energy: -23.223559 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -31.735113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.735113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.735113 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.001 local terms energy: -22.169322 where: bonds (distance) C4'-P energy: -3.003 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -1.800 tors. eta vs tors. theta energy: -5.174 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: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -29.742356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742356 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: -0.162 local terms energy: -20.003641 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -0.860 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -26.736306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.736306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.736306 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.001 local terms energy: -26.735231 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -2.105 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: 50 Temperature: 0.900000 Total energy: -39.018725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.018725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.018725 (E_RNA) where: Base-Base interactions energy: -11.398 where: short stacking energy: -11.398 Base-Backbone interact. energy: -0.009 local terms energy: -27.611689 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -4.826 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: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -41.651260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.651260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.651260 (E_RNA) where: Base-Base interactions energy: -16.542 where: short stacking energy: -16.542 Base-Backbone interact. energy: -0.000 local terms energy: -25.109331 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -35.495442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.495442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.495442 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: -7.902 Base-Backbone interact. energy: -0.010 local terms energy: -27.583955 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -2.448 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: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -38.128268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.128268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.128268 (E_RNA) where: Base-Base interactions energy: -12.925 where: short stacking energy: -12.925 Base-Backbone interact. energy: -0.000 local terms energy: -25.203000 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -4.264 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: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -32.683892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.683892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.683892 (E_RNA) where: Base-Base interactions energy: -9.525 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.013 local terms energy: -23.145575 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -1.338 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: 50 Temperature: 1.150000 Total energy: -31.162114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.162114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.162114 (E_RNA) where: Base-Base interactions energy: -7.415 where: short stacking energy: -7.415 Base-Backbone interact. energy: -0.001 local terms energy: -23.746839 where: bonds (distance) C4'-P energy: -4.449 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -32.839596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.839596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.839596 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.012 local terms energy: -24.392254 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -2.033 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: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -32.834744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.834744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.834744 (E_RNA) where: Base-Base interactions energy: -10.130 where: short stacking energy: -10.130 Base-Backbone interact. energy: -0.062 local terms energy: -22.642723 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -31.475338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.475338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.475338 (E_RNA) where: Base-Base interactions energy: -3.607 where: short stacking energy: -3.607 Base-Backbone interact. energy: -0.041 local terms energy: -27.827606 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -28.251884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251884 (E_RNA) where: Base-Base interactions energy: -5.702 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.001 local terms energy: -22.548448 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: 0.122 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: 51 Temperature: 0.900000 Total energy: -42.982793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.982793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.982793 (E_RNA) where: Base-Base interactions energy: -15.116 where: short stacking energy: -15.116 Base-Backbone interact. energy: -0.000 local terms energy: -27.866420 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -39.290801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.290801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.290801 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.004 local terms energy: -28.629960 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -34.062277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062277 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -9.986 Base-Backbone interact. energy: -0.000 local terms energy: -24.075909 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -31.335329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.335329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.335329 (E_RNA) where: Base-Base interactions energy: -8.850 where: short stacking energy: -7.543 Base-Backbone interact. energy: -0.001 local terms energy: -22.484196 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: 1.728 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: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -36.444442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444442 (E_RNA) where: Base-Base interactions energy: -9.943 where: short stacking energy: -9.943 Base-Backbone interact. energy: -0.046 local terms energy: -26.455319 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -35.793306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.793306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.793306 (E_RNA) where: Base-Base interactions energy: -9.455 where: short stacking energy: -9.455 Base-Backbone interact. energy: -0.001 local terms energy: -26.337763 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -27.538536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.538536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.538536 (E_RNA) where: Base-Base interactions energy: -3.716 where: short stacking energy: -3.716 Base-Backbone interact. energy: -0.049 local terms energy: -23.773611 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -27.564867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.564867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.564867 (E_RNA) where: Base-Base interactions energy: -6.628 where: short stacking energy: -6.628 Base-Backbone interact. energy: -0.008 local terms energy: -20.929186 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: 0.195 tors. eta vs tors. theta energy: -1.909 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: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -33.711626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.711626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.711626 (E_RNA) where: Base-Base interactions energy: -10.599 where: short stacking energy: -10.599 Base-Backbone interact. energy: -0.059 local terms energy: -23.053696 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.127 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -33.624875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.624875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.624875 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: 0.214 local terms energy: -23.433790 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -4.544 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -38.844969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844969 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.001 local terms energy: -27.001912 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.254 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: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -34.791886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.791886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.791886 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.036 local terms energy: -25.066483 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -42.740516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740516 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.023 local terms energy: -28.529007 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.496 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: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -37.265146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.265146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.265146 (E_RNA) where: Base-Base interactions energy: -10.551 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.004 local terms energy: -26.709807 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -31.897816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.897816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.897816 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -10.225 Base-Backbone interact. energy: -0.044 local terms energy: -21.628646 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: 2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -28.185110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.185110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.185110 (E_RNA) where: Base-Base interactions energy: -4.497 where: short stacking energy: -4.497 Base-Backbone interact. energy: -0.086 local terms energy: -23.601845 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: 0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -31.199171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.199171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.199171 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.000 local terms energy: -22.390003 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -1.547 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: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -30.874990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874990 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.123 local terms energy: -22.192443 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -35.312361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.312361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.312361 (E_RNA) where: Base-Base interactions energy: -8.034 where: short stacking energy: -8.034 Base-Backbone interact. energy: -0.005 local terms energy: -27.273149 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -28.444964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.444964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.444964 (E_RNA) where: Base-Base interactions energy: -6.243 where: short stacking energy: -6.243 Base-Backbone interact. energy: -0.020 local terms energy: -22.181489 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: 2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -40.136799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.136799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.136799 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.024 local terms energy: -26.464038 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -39.011904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.011904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.011904 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -11.886 Base-Backbone interact. energy: 0.391 local terms energy: -26.715458 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -2.455 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: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -37.224649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.224649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.224649 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.069 local terms energy: -26.630529 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -40.767570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.767570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.767570 (E_RNA) where: Base-Base interactions energy: -14.751 where: short stacking energy: -14.751 Base-Backbone interact. energy: -0.000 local terms energy: -26.016719 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -37.080687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.080687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.080687 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.000 local terms energy: -28.127111 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -41.075605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.075605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.075605 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.966 Base-Backbone interact. energy: -0.050 local terms energy: -26.059457 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -32.249089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.249089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.249089 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.007 local terms energy: -24.138225 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: 0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -29.368035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368035 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.669 Base-Backbone interact. energy: -0.007 local terms energy: -22.692570 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: 0.879 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: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -32.015195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.015195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.015195 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.005 local terms energy: -23.756000 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.553 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -2.385 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: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -27.880102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.880102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.880102 (E_RNA) where: Base-Base interactions energy: -8.735 where: short stacking energy: -8.735 Base-Backbone interact. energy: -0.001 local terms energy: -19.144849 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -45.482948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.482948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.482948 (E_RNA) where: Base-Base interactions energy: -14.186 where: short stacking energy: -14.186 Base-Backbone interact. energy: -0.000 local terms energy: -31.297075 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -38.734964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.734964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.734964 (E_RNA) where: Base-Base interactions energy: -12.155 where: short stacking energy: -12.155 Base-Backbone interact. energy: -0.009 local terms energy: -26.570926 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -2.955 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: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -39.259955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.259955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.259955 (E_RNA) where: Base-Base interactions energy: -8.412 where: short stacking energy: -8.912 Base-Backbone interact. energy: -0.000 local terms energy: -30.847859 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -36.147435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.147435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.147435 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.000 local terms energy: -28.785793 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -3.577 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: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -34.478774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.478774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.478774 (E_RNA) where: Base-Base interactions energy: -11.600 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -22.878824 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -1.758 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: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -35.603444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.603444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.603444 (E_RNA) where: Base-Base interactions energy: -10.459 where: short stacking energy: -10.459 Base-Backbone interact. energy: -0.001 local terms energy: -25.144179 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.293 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: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -36.005784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.005784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.005784 (E_RNA) where: Base-Base interactions energy: -7.004 where: short stacking energy: -7.004 Base-Backbone interact. energy: -0.000 local terms energy: -29.002076 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.082 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -30.602615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.602615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.602615 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: -4.169 Base-Backbone interact. energy: -0.382 local terms energy: -26.050937 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -1.849 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: 54 Temperature: 1.300000 Total energy: -30.578986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.578986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.578986 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.410 Base-Backbone interact. energy: -0.000 local terms energy: -23.368982 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -2.912 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -30.779020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.779020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.779020 (E_RNA) where: Base-Base interactions energy: -7.512 where: short stacking energy: -7.512 Base-Backbone interact. energy: -0.090 local terms energy: -23.177629 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -3.185 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: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -45.055465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.055465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.055465 (E_RNA) where: Base-Base interactions energy: -14.474 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.000 local terms energy: -30.581032 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -34.774378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.774378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.774378 (E_RNA) where: Base-Base interactions energy: -8.810 where: short stacking energy: -8.810 Base-Backbone interact. energy: -0.105 local terms energy: -25.859169 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -1.654 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: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -32.947173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.947173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.947173 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: 0.369 local terms energy: -25.554843 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -1.506 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: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -32.653130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.653130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.653130 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.306 local terms energy: -20.386956 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: 0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -42.062986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.062986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.062986 (E_RNA) where: Base-Base interactions energy: -12.625 where: short stacking energy: -12.625 Base-Backbone interact. energy: -0.000 local terms energy: -29.437620 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -32.875228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.875228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.875228 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.021 local terms energy: -22.113822 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -35.385346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.385346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.385346 (E_RNA) where: Base-Base interactions energy: -11.333 where: short stacking energy: -11.333 Base-Backbone interact. energy: -0.000 local terms energy: -24.052691 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -30.879634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879634 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.039 local terms energy: -23.173915 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -30.880390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880390 (E_RNA) where: Base-Base interactions energy: -6.184 where: short stacking energy: -6.184 Base-Backbone interact. energy: -0.000 local terms energy: -24.696333 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -3.651 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: 10, replica: 3 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -26.816266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.816266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.816266 (E_RNA) where: Base-Base interactions energy: -4.133 where: short stacking energy: -4.212 Base-Backbone interact. energy: 0.376 local terms energy: -23.059066 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -42.264487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.264487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.264487 (E_RNA) where: Base-Base interactions energy: -11.440 where: short stacking energy: -11.440 Base-Backbone interact. energy: -0.072 local terms energy: -30.752283 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -35.587744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587744 (E_RNA) where: Base-Base interactions energy: -9.140 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.000 local terms energy: -26.447324 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.694 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -5.739 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -32.192091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.192091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.192091 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.619 Base-Backbone interact. energy: 0.077 local terms energy: -24.404009 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.506 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: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -35.398868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.398868 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.286 local terms energy: -25.257543 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -3.134 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: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -33.820729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.820729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.820729 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.212 local terms energy: -22.498122 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -35.695151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.695151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.695151 (E_RNA) where: Base-Base interactions energy: -14.931 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.087 local terms energy: -20.676943 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: 0.687 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -33.049714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.049714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.049714 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.003 local terms energy: -22.429200 where: bonds (distance) C4'-P energy: -4.184 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -1.917 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: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -32.521190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.521190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.521190 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.011 local terms energy: -22.228572 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -32.583376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583376 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: 0.387 local terms energy: -22.558545 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -0.155 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -28.279076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279076 (E_RNA) where: Base-Base interactions energy: -4.481 where: short stacking energy: -4.782 Base-Backbone interact. energy: -0.036 local terms energy: -23.762067 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -38.211042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.211042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.211042 (E_RNA) where: Base-Base interactions energy: -10.940 where: short stacking energy: -10.940 Base-Backbone interact. energy: -0.100 local terms energy: -27.170576 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -4.806 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: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -42.326433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.326433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.326433 (E_RNA) where: Base-Base interactions energy: -14.654 where: short stacking energy: -14.654 Base-Backbone interact. energy: -0.045 local terms energy: -27.627793 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -2.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -36.148746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.148746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.148746 (E_RNA) where: Base-Base interactions energy: -11.571 where: short stacking energy: -11.571 Base-Backbone interact. energy: 0.289 local terms energy: -24.866227 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -4.223 tors. eta vs tors. theta energy: -2.030 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: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -34.815612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.815612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.815612 (E_RNA) where: Base-Base interactions energy: -10.623 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.001 local terms energy: -24.191648 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -34.905965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.905965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.905965 (E_RNA) where: Base-Base interactions energy: -9.667 where: short stacking energy: -9.667 Base-Backbone interact. energy: -0.006 local terms energy: -25.233204 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -34.098171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.098171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.098171 (E_RNA) where: Base-Base interactions energy: -11.952 where: short stacking energy: -11.877 Base-Backbone interact. energy: -0.059 local terms energy: -22.087989 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -2.072 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -4.218 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: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -28.917497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.917497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.917497 (E_RNA) where: Base-Base interactions energy: -4.761 where: short stacking energy: -4.205 Base-Backbone interact. energy: -0.022 local terms energy: -24.134225 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -0.923 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: 57 Temperature: 1.250000 Total energy: -30.725575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.725575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.725575 (E_RNA) where: Base-Base interactions energy: -6.627 where: short stacking energy: -6.627 Base-Backbone interact. energy: 0.524 local terms energy: -24.622626 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -0.745 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -28.562650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.562650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.562650 (E_RNA) where: Base-Base interactions energy: -6.202 where: short stacking energy: -6.202 Base-Backbone interact. energy: -0.077 local terms energy: -22.284218 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -30.955261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.955261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.955261 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.064 local terms energy: -23.766838 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -0.178 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: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -40.609848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.609848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.609848 (E_RNA) where: Base-Base interactions energy: -12.263 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.000 local terms energy: -28.346149 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -39.066751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.066751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.066751 (E_RNA) where: Base-Base interactions energy: -10.910 where: short stacking energy: -10.910 Base-Backbone interact. energy: -0.001 local terms energy: -28.155431 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -4.704 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: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -32.797103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797103 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.114 local terms energy: -22.841997 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -37.995898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.995898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.995898 (E_RNA) where: Base-Base interactions energy: -14.982 where: short stacking energy: -14.982 Base-Backbone interact. energy: -0.026 local terms energy: -22.987648 where: bonds (distance) C4'-P energy: -1.959 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -33.535863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535863 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.078 local terms energy: -23.256939 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.500 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: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -31.747040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.747040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.747040 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.042 local terms energy: -22.713052 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -1.156 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -29.364752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.364752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.364752 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.000 local terms energy: -22.720876 where: bonds (distance) C4'-P energy: -4.085 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.223 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: 58 Temperature: 1.250000 Total energy: -29.271648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.271648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.271648 (E_RNA) where: Base-Base interactions energy: -2.913 where: short stacking energy: -2.913 Base-Backbone interact. energy: -0.003 local terms energy: -26.355413 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -28.020833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.020833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.020833 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.083 local terms energy: -18.833967 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -3.749 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -29.389049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.389049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.389049 (E_RNA) where: Base-Base interactions energy: -6.980 where: short stacking energy: -6.980 Base-Backbone interact. energy: -0.000 local terms energy: -22.408954 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -1.826 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: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -38.227059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.227059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.227059 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -12.186 Base-Backbone interact. energy: -0.006 local terms energy: -24.194681 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -1.560 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -41.409766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.409766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.409766 (E_RNA) where: Base-Base interactions energy: -13.389 where: short stacking energy: -13.389 Base-Backbone interact. energy: -0.007 local terms energy: -28.013829 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -4.597 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: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -35.956192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.956192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.956192 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.030 local terms energy: -25.691576 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -2.179 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: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -31.979129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.979129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.979129 (E_RNA) where: Base-Base interactions energy: -7.353 where: short stacking energy: -7.353 Base-Backbone interact. energy: -0.475 local terms energy: -24.151415 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: 0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -32.296069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.296069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.296069 (E_RNA) where: Base-Base interactions energy: -4.046 where: short stacking energy: -4.046 Base-Backbone interact. energy: -0.272 local terms energy: -27.977734 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -33.919224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919224 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.058 local terms energy: -23.008705 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -0.022 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: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -31.089470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.089470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.089470 (E_RNA) where: Base-Base interactions energy: -4.786 where: short stacking energy: -4.786 Base-Backbone interact. energy: -0.000 local terms energy: -26.303622 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -31.319913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.319913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.319913 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.695 local terms energy: -23.982882 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -5.670 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: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -30.932791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.932791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.932791 (E_RNA) where: Base-Base interactions energy: -6.977 where: short stacking energy: -6.977 Base-Backbone interact. energy: -0.092 local terms energy: -23.864324 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -0.912 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: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -29.053062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.053062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.053062 (E_RNA) where: Base-Base interactions energy: -7.219 where: short stacking energy: -7.219 Base-Backbone interact. energy: -0.002 local terms energy: -21.832137 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.935 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -39.594981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.594981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.594981 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -8.956 Base-Backbone interact. energy: -0.013 local terms energy: -29.298866 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -5.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -43.210533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.210533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.210533 (E_RNA) where: Base-Base interactions energy: -12.919 where: short stacking energy: -12.919 Base-Backbone interact. energy: -0.092 local terms energy: -30.199530 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.274 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: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -33.494401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.494401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.494401 (E_RNA) where: Base-Base interactions energy: -7.095 where: short stacking energy: -7.095 Base-Backbone interact. energy: -0.045 local terms energy: -26.354629 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -3.111 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: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -35.608050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.608050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.608050 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.001 local terms energy: -25.791990 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -5.774 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: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -36.189786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.189786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.189786 (E_RNA) where: Base-Base interactions energy: -7.437 where: short stacking energy: -7.437 Base-Backbone interact. energy: -0.000 local terms energy: -28.752843 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -33.019323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019323 (E_RNA) where: Base-Base interactions energy: -7.216 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.155 local terms energy: -25.648465 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -1.245 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: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -29.962473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.962473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.962473 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.041 local terms energy: -18.584275 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -1.837 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: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -30.892618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.892618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.892618 (E_RNA) where: Base-Base interactions energy: -10.451 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.434 local terms energy: -20.006951 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: 1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -31.190616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190616 (E_RNA) where: Base-Base interactions energy: -6.347 where: short stacking energy: -6.347 Base-Backbone interact. energy: -0.036 local terms energy: -24.807258 where: bonds (distance) C4'-P energy: -4.511 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -3.267 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: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -28.368421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.368421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.368421 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.443 Base-Backbone interact. energy: -0.001 local terms energy: -19.825527 where: bonds (distance) C4'-P energy: -5.177 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -2.594 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: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -36.800195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.800195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.800195 (E_RNA) where: Base-Base interactions energy: -11.397 where: short stacking energy: -11.397 Base-Backbone interact. energy: -0.000 local terms energy: -25.402748 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -39.558439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.558439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.558439 (E_RNA) where: Base-Base interactions energy: -10.540 where: short stacking energy: -10.540 Base-Backbone interact. energy: -0.000 local terms energy: -29.018869 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.052 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: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -41.098380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.098380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.098380 (E_RNA) where: Base-Base interactions energy: -11.244 where: short stacking energy: -11.244 Base-Backbone interact. energy: -0.000 local terms energy: -29.854403 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -6.914 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: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -33.572360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.572360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.572360 (E_RNA) where: Base-Base interactions energy: -11.779 where: short stacking energy: -11.779 Base-Backbone interact. energy: -0.004 local terms energy: -21.789131 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: 0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -34.542834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.542834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.542834 (E_RNA) where: Base-Base interactions energy: -11.654 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.001 local terms energy: -22.887828 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -2.239 tors. eta vs tors. theta energy: -2.065 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: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -29.857011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.857011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.857011 (E_RNA) where: Base-Base interactions energy: -5.123 where: short stacking energy: -5.123 Base-Backbone interact. energy: -0.085 local terms energy: -24.648897 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: 0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -31.602691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.602691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.602691 (E_RNA) where: Base-Base interactions energy: -6.054 where: short stacking energy: -6.054 Base-Backbone interact. energy: -0.057 local terms energy: -25.490864 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.376 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: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -32.379270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.379270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.379270 (E_RNA) where: Base-Base interactions energy: -8.967 where: short stacking energy: -8.967 Base-Backbone interact. energy: -0.094 local terms energy: -23.318038 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -29.338426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.338426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.338426 (E_RNA) where: Base-Base interactions energy: -2.465 where: short stacking energy: -2.465 Base-Backbone interact. energy: 0.218 local terms energy: -27.091130 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -31.651003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.651003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.651003 (E_RNA) where: Base-Base interactions energy: -11.503 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.002 local terms energy: -20.146338 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -1.881 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: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -38.788234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.788234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.788234 (E_RNA) where: Base-Base interactions energy: -11.407 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.000 local terms energy: -27.381316 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -2.993 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: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -38.733865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.733865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.733865 (E_RNA) where: Base-Base interactions energy: -9.919 where: short stacking energy: -9.919 Base-Backbone interact. energy: -0.001 local terms energy: -28.813598 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -32.029475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.029475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.029475 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -6.043 Base-Backbone interact. energy: -0.550 local terms energy: -24.539995 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -41.933179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.933179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.933179 (E_RNA) where: Base-Base interactions energy: -12.440 where: short stacking energy: -12.440 Base-Backbone interact. energy: -0.000 local terms energy: -29.492752 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -5.080 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: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -34.917739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.917739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.917739 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -24.644422 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -33.591692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.591692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.591692 (E_RNA) where: Base-Base interactions energy: -10.436 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.093 local terms energy: -23.063468 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -34.338375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.338375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.338375 (E_RNA) where: Base-Base interactions energy: -11.326 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.010 local terms energy: -23.003189 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -3.146 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -36.207975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.207975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.207975 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.021 local terms energy: -23.481980 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -32.176855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.176855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.176855 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.012 local terms energy: -21.146035 where: bonds (distance) C4'-P energy: -3.116 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -28.607434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.607434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.607434 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.001 local terms energy: -18.481380 where: bonds (distance) C4'-P energy: -3.021 bonds (distance) P-C4' energy: -4.283 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -1.370 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -40.984336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.984336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.984336 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.046 local terms energy: -26.075921 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -3.738 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: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -36.453969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.453969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.453969 (E_RNA) where: Base-Base interactions energy: -10.105 where: short stacking energy: -10.105 Base-Backbone interact. energy: -0.000 local terms energy: -26.349239 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -36.467523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.467523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.467523 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.001 local terms energy: -25.037765 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -38.948735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.948735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.948735 (E_RNA) where: Base-Base interactions energy: -11.099 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.001 local terms energy: -27.848994 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -34.554662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.554662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.554662 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.092 local terms energy: -26.991661 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -32.531364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.531364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.531364 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.000 local terms energy: -23.961468 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -28.313388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.313388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.313388 (E_RNA) where: Base-Base interactions energy: -3.788 where: short stacking energy: -3.226 Base-Backbone interact. energy: -0.135 local terms energy: -24.391063 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -29.697726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.697726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.697726 (E_RNA) where: Base-Base interactions energy: -4.546 where: short stacking energy: -4.546 Base-Backbone interact. energy: -0.000 local terms energy: -25.152093 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -4.049 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: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -26.177797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.177797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.177797 (E_RNA) where: Base-Base interactions energy: -4.513 where: short stacking energy: -4.513 Base-Backbone interact. energy: -0.243 local terms energy: -21.421547 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: 0.914 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: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -30.612437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.612437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.612437 (E_RNA) where: Base-Base interactions energy: -3.122 where: short stacking energy: -3.122 Base-Backbone interact. energy: -0.008 local terms energy: -27.483353 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -3.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -41.487266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.487266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.487266 (E_RNA) where: Base-Base interactions energy: -14.706 where: short stacking energy: -14.706 Base-Backbone interact. energy: -0.000 local terms energy: -26.781002 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -37.529695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.529695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.529695 (E_RNA) where: Base-Base interactions energy: -12.485 where: short stacking energy: -12.485 Base-Backbone interact. energy: -0.003 local terms energy: -25.041379 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -1.544 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: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -35.441696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.441696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.441696 (E_RNA) where: Base-Base interactions energy: -10.767 where: short stacking energy: -10.767 Base-Backbone interact. energy: -0.000 local terms energy: -24.674835 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -3.628 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: 64 Temperature: 1.050000 Total energy: -35.829869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.829869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.829869 (E_RNA) where: Base-Base interactions energy: -8.609 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.004 local terms energy: -27.216688 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -30.330722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.330722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.330722 (E_RNA) where: Base-Base interactions energy: -5.565 where: short stacking energy: -3.825 Base-Backbone interact. energy: -0.294 local terms energy: -24.471470 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.486 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: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -32.066296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.066296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.066296 (E_RNA) where: Base-Base interactions energy: -7.452 where: short stacking energy: -7.452 Base-Backbone interact. energy: -0.007 local terms energy: -24.607315 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -1.811 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: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -32.362152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.362152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.362152 (E_RNA) where: Base-Base interactions energy: -7.163 where: short stacking energy: -7.163 Base-Backbone interact. energy: 0.277 local terms energy: -25.475948 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.996 flat angles P-C4'-P energy: -4.250 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: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -32.177398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.177398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.177398 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: -0.019 local terms energy: -23.036508 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -27.798172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.798172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.798172 (E_RNA) where: Base-Base interactions energy: -3.541 where: short stacking energy: -3.541 Base-Backbone interact. energy: -0.001 local terms energy: -24.255796 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -26.233586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.233586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.233586 (E_RNA) where: Base-Base interactions energy: -5.497 where: short stacking energy: -5.497 Base-Backbone interact. energy: -0.001 local terms energy: -20.735427 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -0.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -45.050425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.050425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.050425 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.000 local terms energy: -30.758829 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -35.328135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.328135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.328135 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -28.003443 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -36.590660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.590660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.590660 (E_RNA) where: Base-Base interactions energy: -12.959 where: short stacking energy: -11.940 Base-Backbone interact. energy: -0.004 local terms energy: -23.627532 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -34.824848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.824848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.824848 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.236 Base-Backbone interact. energy: -0.044 local terms energy: -24.544970 where: bonds (distance) C4'-P energy: -5.293 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -1.233 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: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -33.180927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.180927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.180927 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.003 local terms energy: -26.257872 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -0.293 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: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -32.741875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.741875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.741875 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.225 local terms energy: -25.442066 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -32.575298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.575298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.575298 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -10.198 Base-Backbone interact. energy: -0.101 local terms energy: -22.276923 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: 0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -27.469411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.469411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.469411 (E_RNA) where: Base-Base interactions energy: -2.352 where: short stacking energy: -2.352 Base-Backbone interact. energy: -0.394 local terms energy: -24.723606 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -31.108934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.108934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.108934 (E_RNA) where: Base-Base interactions energy: -10.149 where: short stacking energy: -10.149 Base-Backbone interact. energy: -0.057 local terms energy: -20.902812 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -28.355877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.355877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.355877 (E_RNA) where: Base-Base interactions energy: -2.121 where: short stacking energy: -2.121 Base-Backbone interact. energy: -0.000 local terms energy: -26.234506 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -0.708 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: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -39.115247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.115247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.115247 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.007 local terms energy: -28.331340 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -34.731515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.731515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.731515 (E_RNA) where: Base-Base interactions energy: -6.610 where: short stacking energy: -6.610 Base-Backbone interact. energy: -0.050 local terms energy: -28.071434 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.919 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: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -38.103904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.103904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.103904 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.001 local terms energy: -26.114648 where: bonds (distance) C4'-P energy: -6.415 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -2.648 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: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -39.818310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.818310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.818310 (E_RNA) where: Base-Base interactions energy: -14.338 where: short stacking energy: -14.338 Base-Backbone interact. energy: -0.008 local terms energy: -25.472457 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.563 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -37.342707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.342707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.342707 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.626 local terms energy: -26.395223 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -29.370222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.370222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.370222 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.075 Base-Backbone interact. energy: -0.132 local terms energy: -21.163499 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: 0.149 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: 66 Temperature: 1.200000 Total energy: -30.742542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.742542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.742542 (E_RNA) where: Base-Base interactions energy: -10.552 where: short stacking energy: -10.552 Base-Backbone interact. energy: -0.001 local terms energy: -20.190109 where: bonds (distance) C4'-P energy: -2.176 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -28.878371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.878371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.878371 (E_RNA) where: Base-Base interactions energy: -7.376 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.016 local terms energy: -21.486626 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -29.341687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341687 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.024 local terms energy: -21.516752 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -30.942243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.942243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.942243 (E_RNA) where: Base-Base interactions energy: -5.150 where: short stacking energy: -5.150 Base-Backbone interact. energy: -0.004 local terms energy: -25.787383 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -45.990101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.990101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.990101 (E_RNA) where: Base-Base interactions energy: -13.803 where: short stacking energy: -13.803 Base-Backbone interact. energy: -0.000 local terms energy: -32.186878 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -34.252756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.252756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.252756 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.196 local terms energy: -25.912875 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -40.861221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.861221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.861221 (E_RNA) where: Base-Base interactions energy: -9.287 where: short stacking energy: -9.287 Base-Backbone interact. energy: -0.631 local terms energy: -30.942938 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -32.038601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.038601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.038601 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -5.740 Base-Backbone interact. energy: -0.005 local terms energy: -24.842594 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -1.735 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: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -34.664278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664278 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.871 Base-Backbone interact. energy: -0.002 local terms energy: -23.790911 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: 2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -35.904792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.904792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.904792 (E_RNA) where: Base-Base interactions energy: -11.261 where: short stacking energy: -11.261 Base-Backbone interact. energy: -0.088 local terms energy: -24.555808 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -2.028 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: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -28.673125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.673125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.673125 (E_RNA) where: Base-Base interactions energy: -8.812 where: short stacking energy: -6.002 Base-Backbone interact. energy: -0.097 local terms energy: -19.763378 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: 1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -29.487527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.487527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.487527 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -6.330 Base-Backbone interact. energy: -0.034 local terms energy: -22.211818 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.310 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -38.776647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.776647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.776647 (E_RNA) where: Base-Base interactions energy: -10.813 where: short stacking energy: -10.813 Base-Backbone interact. energy: -0.021 local terms energy: -27.942517 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -27.382601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.382601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.382601 (E_RNA) where: Base-Base interactions energy: -2.578 where: short stacking energy: -4.067 Base-Backbone interact. energy: -0.907 local terms energy: -23.897230 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -38.628632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.628632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.628632 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.032 local terms energy: -27.765026 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -42.548054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.548054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.548054 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -16.413 Base-Backbone interact. energy: -0.000 local terms energy: -26.135234 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -4.507 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: 7 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -34.654344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.654344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.654344 (E_RNA) where: Base-Base interactions energy: -13.400 where: short stacking energy: -13.400 Base-Backbone interact. energy: -0.359 local terms energy: -20.895669 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.047 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -34.283958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.283958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.283958 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -5.870 Base-Backbone interact. energy: -1.153 local terms energy: -27.261324 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -34.115649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.115649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.115649 (E_RNA) where: Base-Base interactions energy: -12.923 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.003 local terms energy: -21.189326 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -4.348 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -1.524 tors. eta vs tors. theta energy: -5.120 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: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -35.117366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.117366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.117366 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.479 Base-Backbone interact. energy: -0.056 local terms energy: -24.676195 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -2.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -31.247088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247088 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -7.191 Base-Backbone interact. energy: -0.002 local terms energy: -24.054291 where: bonds (distance) C4'-P energy: -6.381 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -26.822107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822107 (E_RNA) where: Base-Base interactions energy: -3.648 where: short stacking energy: -3.648 Base-Backbone interact. energy: -0.005 local terms energy: -23.169038 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -28.928860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.928860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.928860 (E_RNA) where: Base-Base interactions energy: -5.692 where: short stacking energy: -4.821 Base-Backbone interact. energy: -1.018 local terms energy: -22.218716 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: 0.747 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: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -30.874180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874180 (E_RNA) where: Base-Base interactions energy: -5.889 where: short stacking energy: -5.889 Base-Backbone interact. energy: 0.558 local terms energy: -25.543398 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -40.055825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.055825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.055825 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.097 local terms energy: -25.516258 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.453 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: 2, replica: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -39.661547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.661547 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.240 local terms energy: -25.425662 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.723 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: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -31.469856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.469856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.469856 (E_RNA) where: Base-Base interactions energy: -6.312 where: short stacking energy: -5.685 Base-Backbone interact. energy: -0.282 local terms energy: -24.875914 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -31.695898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.695898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.695898 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.306 local terms energy: -22.944761 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.778 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: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -30.865676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.865676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.865676 (E_RNA) where: Base-Base interactions energy: -5.691 where: short stacking energy: -5.691 Base-Backbone interact. energy: -0.000 local terms energy: -25.174627 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -3.573 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: 69 Temperature: 1.150000 Total energy: -31.516995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.516995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.516995 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.142 local terms energy: -23.782811 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: 1.739 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: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -29.201465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.201465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.201465 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.071 local terms energy: -21.834814 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -33.297586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.297586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.297586 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.372 local terms energy: -24.721189 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -0.915 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: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -28.170274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.170274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.170274 (E_RNA) where: Base-Base interactions energy: -2.834 where: short stacking energy: -2.834 Base-Backbone interact. energy: -0.004 local terms energy: -25.332381 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -29.052012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.052012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.052012 (E_RNA) where: Base-Base interactions energy: -5.149 where: short stacking energy: -5.149 Base-Backbone interact. energy: -0.106 local terms energy: -23.797823 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -38.453819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.453819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.453819 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.003 local terms energy: -30.754417 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -4.583 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: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -35.863593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.863593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.863593 (E_RNA) where: Base-Base interactions energy: -9.037 where: short stacking energy: -9.037 Base-Backbone interact. energy: -0.000 local terms energy: -26.826183 where: bonds (distance) C4'-P energy: -6.159 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -4.441 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: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -35.639237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639237 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.022 local terms energy: -26.987009 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -38.810461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.810461 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -14.688 Base-Backbone interact. energy: -0.526 local terms energy: -23.618995 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -2.246 tors. eta vs tors. theta energy: -2.215 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: 70 Temperature: 1.100000 Total energy: -33.823002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.823002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.823002 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.164 local terms energy: -25.416254 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -36.648567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.648567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.648567 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.000 local terms energy: -25.872718 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -31.485443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.485443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.485443 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.067 local terms energy: -20.930873 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -31.328235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.328235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.328235 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.078 local terms energy: -19.918393 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: 0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -34.472691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.472691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.472691 (E_RNA) where: Base-Base interactions energy: -15.447 where: short stacking energy: -15.447 Base-Backbone interact. energy: -0.028 local terms energy: -18.997583 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -1.148 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -31.965120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.965120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.965120 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.000 local terms energy: -23.775964 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -2.361 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: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -34.868856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.868856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.868856 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.001 local terms energy: -22.853810 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -3.757 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: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -37.306620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.306620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.306620 (E_RNA) where: Base-Base interactions energy: -10.680 where: short stacking energy: -10.680 Base-Backbone interact. energy: -0.000 local terms energy: -26.626447 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -3.671 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: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -36.462503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.462503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.462503 (E_RNA) where: Base-Base interactions energy: -7.489 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.000 local terms energy: -28.973071 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.105 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: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -38.230690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.230690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.230690 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.000 local terms energy: -25.249002 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -2.352 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: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -34.158413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158413 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -10.445 Base-Backbone interact. energy: -0.006 local terms energy: -22.774193 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -33.376237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.376237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.376237 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.108 local terms energy: -26.215835 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -29.076334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.076334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.076334 (E_RNA) where: Base-Base interactions energy: -8.959 where: short stacking energy: -8.959 Base-Backbone interact. energy: -0.038 local terms energy: -20.078611 where: bonds (distance) C4'-P energy: -5.636 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -30.108799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.108799 (E_RNA) where: Base-Base interactions energy: -8.073 where: short stacking energy: -8.073 Base-Backbone interact. energy: -0.001 local terms energy: -22.034599 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -31.093732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.093732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.093732 (E_RNA) where: Base-Base interactions energy: -11.884 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.041 local terms energy: -19.168311 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -28.167653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167653 (E_RNA) where: Base-Base interactions energy: -7.107 where: short stacking energy: -7.107 Base-Backbone interact. energy: -0.056 local terms energy: -21.004581 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -0.025 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: 72 Temperature: 0.900000 Total energy: -43.004540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.004540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.004540 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.096 local terms energy: -31.387177 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -39.107071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.107071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.107071 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -12.289 Base-Backbone interact. energy: 0.500 local terms energy: -27.318606 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -35.300141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.300141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.300141 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.178 local terms energy: -27.519989 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.570 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -35.256777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.256777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.256777 (E_RNA) where: Base-Base interactions energy: -6.594 where: short stacking energy: -7.031 Base-Backbone interact. energy: -0.004 local terms energy: -28.658842 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -3.602 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: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -37.244696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.244696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.244696 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: 0.407 local terms energy: -25.272227 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -1.849 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -32.953913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.953913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.953913 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.577 Base-Backbone interact. energy: -1.086 local terms energy: -23.486156 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -2.570 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -29.810286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.810286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.810286 (E_RNA) where: Base-Base interactions energy: -7.527 where: short stacking energy: -7.527 Base-Backbone interact. energy: -0.012 local terms energy: -22.271724 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -34.147088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.147088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.147088 (E_RNA) where: Base-Base interactions energy: -10.681 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.032 local terms energy: -23.434522 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -2.039 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: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -28.526401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.526401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.526401 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.456 local terms energy: -20.411692 where: bonds (distance) C4'-P energy: -4.746 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: 0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -30.188790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.188790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.188790 (E_RNA) where: Base-Base interactions energy: -9.578 where: short stacking energy: -9.578 Base-Backbone interact. energy: -0.065 local terms energy: -20.545679 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -2.825 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -36.547047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.547047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.547047 (E_RNA) where: Base-Base interactions energy: -10.906 where: short stacking energy: -10.906 Base-Backbone interact. energy: -0.000 local terms energy: -25.641206 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -37.606717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.606717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.606717 (E_RNA) where: Base-Base interactions energy: -12.101 where: short stacking energy: -12.101 Base-Backbone interact. energy: -0.248 local terms energy: -25.257598 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -33.729681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729681 (E_RNA) where: Base-Base interactions energy: -8.346 where: short stacking energy: -8.346 Base-Backbone interact. energy: -0.105 local terms energy: -25.278857 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -38.051233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.051233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.051233 (E_RNA) where: Base-Base interactions energy: -10.866 where: short stacking energy: -10.866 Base-Backbone interact. energy: -0.000 local terms energy: -27.185659 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -4.346 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: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -30.090164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090164 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.146 local terms energy: -21.526866 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: 1.907 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: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -33.417237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.417237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.417237 (E_RNA) where: Base-Base interactions energy: -12.319 where: short stacking energy: -12.319 Base-Backbone interact. energy: 1.344 local terms energy: -22.442650 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -33.256465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.256465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.256465 (E_RNA) where: Base-Base interactions energy: -6.626 where: short stacking energy: -6.626 Base-Backbone interact. energy: -0.014 local terms energy: -26.616311 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -3.789 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: 8, replica: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -29.154891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154891 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.018 local terms energy: -25.650104 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -36.151835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.151835 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.083 local terms energy: -25.216641 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -3.631 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -25.235063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.235063 (E_RNA) where: Base-Base interactions energy: -3.453 where: short stacking energy: -2.001 Base-Backbone interact. energy: 0.097 local terms energy: -21.879836 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.625 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -37.395253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.395253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.395253 (E_RNA) where: Base-Base interactions energy: -12.401 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.008 local terms energy: -24.986168 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -40.213803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.213803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.213803 (E_RNA) where: Base-Base interactions energy: -14.339 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.001 local terms energy: -25.873725 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -3.314 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: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -41.751913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.751913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.751913 (E_RNA) where: Base-Base interactions energy: -12.988 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.001 local terms energy: -28.762671 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -37.587044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.587044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.587044 (E_RNA) where: Base-Base interactions energy: -10.254 where: short stacking energy: -10.254 Base-Backbone interact. energy: -0.009 local terms energy: -27.323833 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -32.229886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.229886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.229886 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.000 local terms energy: -23.273090 where: bonds (distance) C4'-P energy: -4.734 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -1.654 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: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -37.604978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.604978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.604978 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -6.975 Base-Backbone interact. energy: -0.104 local terms energy: -25.576936 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -39.369747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.369747 (E_RNA) where: Base-Base interactions energy: -12.677 where: short stacking energy: -12.677 Base-Backbone interact. energy: -0.000 local terms energy: -26.692163 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -4.662 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: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -27.726508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.726508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.726508 (E_RNA) where: Base-Base interactions energy: -5.150 where: short stacking energy: -3.086 Base-Backbone interact. energy: -0.208 local terms energy: -22.368613 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: 1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -33.073097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.073097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.073097 (E_RNA) where: Base-Base interactions energy: -4.934 where: short stacking energy: -4.934 Base-Backbone interact. energy: -0.001 local terms energy: -28.138391 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.766 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: 10, replica: 3 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -26.358243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.358243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.358243 (E_RNA) where: Base-Base interactions energy: -3.935 where: short stacking energy: -3.935 Base-Backbone interact. energy: -0.010 local terms energy: -22.413947 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -3.689 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -0.696 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: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -42.331844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.331844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.331844 (E_RNA) where: Base-Base interactions energy: -12.855 where: short stacking energy: -12.855 Base-Backbone interact. energy: -0.084 local terms energy: -29.393042 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -38.737753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.737753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.737753 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.036 local terms energy: -26.491063 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -1.082 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: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -33.506312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.506312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.506312 (E_RNA) where: Base-Base interactions energy: -4.828 where: short stacking energy: -4.828 Base-Backbone interact. energy: -0.000 local terms energy: -28.678276 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -34.089881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.089881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.089881 (E_RNA) where: Base-Base interactions energy: -9.601 where: short stacking energy: -6.294 Base-Backbone interact. energy: -0.035 local terms energy: -24.453655 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -32.087599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.087599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.087599 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.025 local terms energy: -25.019287 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -33.038922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038922 (E_RNA) where: Base-Base interactions energy: -6.078 where: short stacking energy: -6.078 Base-Backbone interact. energy: -0.006 local terms energy: -26.954833 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -29.241683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.241683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.241683 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.004 local terms energy: -20.945345 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: 0.978 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: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -36.649623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.649623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.649623 (E_RNA) where: Base-Base interactions energy: -10.298 where: short stacking energy: -10.298 Base-Backbone interact. energy: -0.023 local terms energy: -26.329157 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -29.999332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999332 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.165 local terms energy: -22.495719 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -0.585 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: 75 Temperature: 1.350000 Total energy: -28.250507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.250507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.250507 (E_RNA) where: Base-Base interactions energy: -3.778 where: short stacking energy: -3.778 Base-Backbone interact. energy: -0.086 local terms energy: -24.385922 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -2.077 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: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -40.214455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.214455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.214455 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -10.210 Base-Backbone interact. energy: -1.036 local terms energy: -27.693916 where: bonds (distance) C4'-P energy: -4.680 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -6.015 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -38.561129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.561129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.561129 (E_RNA) where: Base-Base interactions energy: -11.742 where: short stacking energy: -11.742 Base-Backbone interact. energy: -0.000 local terms energy: -26.818669 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -39.244106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.244106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.244106 (E_RNA) where: Base-Base interactions energy: -11.531 where: short stacking energy: -11.531 Base-Backbone interact. energy: -0.001 local terms energy: -27.711481 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.731 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -4.088 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: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -35.684028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684028 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.057 local terms energy: -24.949644 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -1.995 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: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -34.377764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.377764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.377764 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.002 local terms energy: -26.605828 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -31.230501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.230501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.230501 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.164 local terms energy: -18.411991 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: 0.599 tors. eta vs tors. theta energy: -0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -32.273019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.273019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.273019 (E_RNA) where: Base-Base interactions energy: -9.268 where: short stacking energy: -9.268 Base-Backbone interact. energy: -0.041 local terms energy: -22.963351 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -1.280 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -35.082772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082772 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.000 local terms energy: -23.915351 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -0.509 tors. eta vs tors. theta energy: -2.507 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: 76 Temperature: 1.300000 Total energy: -26.894173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.894173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.894173 (E_RNA) where: Base-Base interactions energy: -5.158 where: short stacking energy: -5.158 Base-Backbone interact. energy: -0.097 local terms energy: -21.638498 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -29.336455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.336455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.336455 (E_RNA) where: Base-Base interactions energy: -4.670 where: short stacking energy: -4.670 Base-Backbone interact. energy: -0.075 local terms energy: -24.591313 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: 0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -33.319741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319741 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -7.851 Base-Backbone interact. energy: -0.002 local terms energy: -25.467058 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: 1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -40.025778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.025778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.025778 (E_RNA) where: Base-Base interactions energy: -15.043 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.018 local terms energy: -24.965096 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -4.860 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -32.141172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.141172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.141172 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -7.873 Base-Backbone interact. energy: -0.020 local terms energy: -21.524871 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -36.997128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.997128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.997128 (E_RNA) where: Base-Base interactions energy: -10.948 where: short stacking energy: -10.948 Base-Backbone interact. energy: -0.000 local terms energy: -26.048492 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -36.590408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.590408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.590408 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.026 local terms energy: -25.222019 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -31.630115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.630115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.630115 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -7.654 Base-Backbone interact. energy: -0.029 local terms energy: -23.458348 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -34.447601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.447601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.447601 (E_RNA) where: Base-Base interactions energy: -8.806 where: short stacking energy: -8.806 Base-Backbone interact. energy: -0.101 local terms energy: -25.540880 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -1.191 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -29.336207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.336207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.336207 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -4.059 Base-Backbone interact. energy: 0.284 local terms energy: -20.845381 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: 0.226 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: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -31.915559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.915559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.915559 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.000 local terms energy: -24.164857 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -31.331453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.331453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.331453 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.014 local terms energy: -23.560896 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.626 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: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -36.578766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.578766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.578766 (E_RNA) where: Base-Base interactions energy: -11.293 where: short stacking energy: -11.293 Base-Backbone interact. energy: -0.005 local terms energy: -25.280691 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -2.861 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -39.482109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482109 (E_RNA) where: Base-Base interactions energy: -14.664 where: short stacking energy: -14.664 Base-Backbone interact. energy: -0.060 local terms energy: -24.757744 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -37.008374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.008374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.008374 (E_RNA) where: Base-Base interactions energy: -10.729 where: short stacking energy: -10.729 Base-Backbone interact. energy: -0.076 local terms energy: -26.203298 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -1.728 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: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -37.928163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.928163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.928163 (E_RNA) where: Base-Base interactions energy: -11.176 where: short stacking energy: -11.176 Base-Backbone interact. energy: -0.000 local terms energy: -26.751624 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -31.567426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.567426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.567426 (E_RNA) where: Base-Base interactions energy: -8.526 where: short stacking energy: -8.526 Base-Backbone interact. energy: -0.006 local terms energy: -23.034993 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -33.471136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.471136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.471136 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -12.247 Base-Backbone interact. energy: -0.019 local terms energy: -21.204872 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -32.484996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.484996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.484996 (E_RNA) where: Base-Base interactions energy: -6.341 where: short stacking energy: -6.341 Base-Backbone interact. energy: 0.067 local terms energy: -26.211479 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -32.169383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.169383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.169383 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: 0.091 local terms energy: -25.045292 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -3.217 tors. eta vs tors. theta energy: -2.444 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: 78 Temperature: 1.300000 Total energy: -27.325010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.325010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.325010 (E_RNA) where: Base-Base interactions energy: -5.918 where: short stacking energy: -5.918 Base-Backbone interact. energy: -0.003 local terms energy: -21.403865 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.000 flat angles P-C4'-P energy: -4.367 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: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -31.070720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.070720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.070720 (E_RNA) where: Base-Base interactions energy: -8.771 where: short stacking energy: -8.771 Base-Backbone interact. energy: -0.000 local terms energy: -22.299916 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -2.732 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -3.464 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -40.320226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.320226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.320226 (E_RNA) where: Base-Base interactions energy: -15.527 where: short stacking energy: -15.527 Base-Backbone interact. energy: -0.165 local terms energy: -24.628811 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -39.058994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.058994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.058994 (E_RNA) where: Base-Base interactions energy: -11.008 where: short stacking energy: -11.008 Base-Backbone interact. energy: -0.002 local terms energy: -28.048523 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -32.868482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868482 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.621 local terms energy: -25.415896 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -32.476962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.476962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.476962 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.000 local terms energy: -24.766663 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -0.034 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: 5, replica: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -37.812295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.812295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.812295 (E_RNA) where: Base-Base interactions energy: -13.057 where: short stacking energy: -13.057 Base-Backbone interact. energy: -0.001 local terms energy: -24.754780 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -2.932 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: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -36.150567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.150567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.150567 (E_RNA) where: Base-Base interactions energy: -11.030 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.002 local terms energy: -25.119175 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -2.351 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: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -33.797423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.797423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.797423 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.117 local terms energy: -26.847290 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -28.324213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.324213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.324213 (E_RNA) where: Base-Base interactions energy: -1.452 where: short stacking energy: -1.452 Base-Backbone interact. energy: -0.092 local terms energy: -26.780102 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -4.408 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: 79 Temperature: 1.300000 Total energy: -34.380068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.380068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.380068 (E_RNA) where: Base-Base interactions energy: -6.222 where: short stacking energy: -5.663 Base-Backbone interact. energy: -0.068 local terms energy: -28.090109 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.254 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: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -28.567173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.567173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.567173 (E_RNA) where: Base-Base interactions energy: -3.637 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.000 local terms energy: -24.930600 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -39.083690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.083690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.083690 (E_RNA) where: Base-Base interactions energy: -11.067 where: short stacking energy: -11.067 Base-Backbone interact. energy: -0.000 local terms energy: -28.016280 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -5.021 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: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -36.186489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.186489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.186489 (E_RNA) where: Base-Base interactions energy: -11.020 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.000 local terms energy: -25.166235 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -37.934432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.934432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.934432 (E_RNA) where: Base-Base interactions energy: -9.778 where: short stacking energy: -9.778 Base-Backbone interact. energy: -0.000 local terms energy: -28.156396 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -4.496 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: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -36.252310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.252310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.252310 (E_RNA) where: Base-Base interactions energy: -11.194 where: short stacking energy: -11.194 Base-Backbone interact. energy: -0.089 local terms energy: -24.968776 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -1.835 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: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -34.899976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.899976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.899976 (E_RNA) where: Base-Base interactions energy: -9.495 where: short stacking energy: -9.495 Base-Backbone interact. energy: -0.001 local terms energy: -25.403800 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -33.887593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.887593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.887593 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.188 local terms energy: -21.885351 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -3.797 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -35.285027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.285027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.285027 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -12.247 Base-Backbone interact. energy: -0.085 local terms energy: -22.952738 where: bonds (distance) C4'-P energy: -2.437 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -3.613 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: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -30.729554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.729554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.729554 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.000 local terms energy: -24.021292 where: bonds (distance) C4'-P energy: -4.209 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -30.257567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.257567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.257567 (E_RNA) where: Base-Base interactions energy: -6.439 where: short stacking energy: -6.439 Base-Backbone interact. energy: -0.094 local terms energy: -23.724615 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.416 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: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -27.807167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807167 (E_RNA) where: Base-Base interactions energy: -4.121 where: short stacking energy: -4.121 Base-Backbone interact. energy: -0.076 local terms energy: -23.610607 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -40.993947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.993947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.993947 (E_RNA) where: Base-Base interactions energy: -12.849 where: short stacking energy: -12.849 Base-Backbone interact. energy: -0.003 local terms energy: -28.141068 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.104 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: 81 Temperature: 0.950000 Total energy: -36.191088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.191088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.191088 (E_RNA) where: Base-Base interactions energy: -10.329 where: short stacking energy: -10.329 Base-Backbone interact. energy: -0.015 local terms energy: -25.847177 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -36.390649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.390649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.390649 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.070 local terms energy: -23.986349 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -4.273 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: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -35.669292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.669292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.669292 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.005 local terms energy: -23.640778 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -30.301127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301127 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.124 local terms energy: -24.296489 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -35.359717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.359717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.359717 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -7.888 Base-Backbone interact. energy: -0.012 local terms energy: -26.328133 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -31.177289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.177289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.177289 (E_RNA) where: Base-Base interactions energy: -6.095 where: short stacking energy: -6.095 Base-Backbone interact. energy: -0.007 local terms energy: -25.075129 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -28.355344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.355344 (E_RNA) where: Base-Base interactions energy: -6.890 where: short stacking energy: -6.890 Base-Backbone interact. energy: -0.105 local terms energy: -21.360131 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -32.472939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.472939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.472939 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.000 local terms energy: -24.412537 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.030 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.217 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: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -29.968280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.968280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.968280 (E_RNA) where: Base-Base interactions energy: -2.616 where: short stacking energy: -2.616 Base-Backbone interact. energy: -0.001 local terms energy: -27.351883 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -2.553 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -36.677791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.677791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.677791 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.115 local terms energy: -26.209663 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -35.882982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.882982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.882982 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.377 local terms energy: -26.495405 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -0.537 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: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -33.918849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.918849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.918849 (E_RNA) where: Base-Base interactions energy: -8.039 where: short stacking energy: -8.039 Base-Backbone interact. energy: -0.005 local terms energy: -25.874946 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.264 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: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -32.941461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941461 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.100 local terms energy: -24.625884 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -34.132052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.132052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.132052 (E_RNA) where: Base-Base interactions energy: -12.771 where: short stacking energy: -12.771 Base-Backbone interact. energy: -0.023 local terms energy: -21.338629 where: bonds (distance) C4'-P energy: -1.558 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -0.907 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: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -33.885334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.885334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.885334 (E_RNA) where: Base-Base interactions energy: -12.580 where: short stacking energy: -12.580 Base-Backbone interact. energy: -0.000 local terms energy: -21.305526 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -0.376 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -30.930388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930388 (E_RNA) where: Base-Base interactions energy: -4.528 where: short stacking energy: -4.528 Base-Backbone interact. energy: -0.036 local terms energy: -26.366349 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -28.339291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.339291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.339291 (E_RNA) where: Base-Base interactions energy: -3.939 where: short stacking energy: -3.939 Base-Backbone interact. energy: -0.067 local terms energy: -24.332789 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -5.331 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: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -31.080339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.080339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.080339 (E_RNA) where: Base-Base interactions energy: -8.805 where: short stacking energy: -8.805 Base-Backbone interact. energy: -0.002 local terms energy: -22.273951 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: 1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -26.560574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.560574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.560574 (E_RNA) where: Base-Base interactions energy: -3.780 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.000 local terms energy: -22.780759 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -0.708 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: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -39.502001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.502001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.502001 (E_RNA) where: Base-Base interactions energy: -15.976 where: short stacking energy: -15.976 Base-Backbone interact. energy: -0.000 local terms energy: -23.525919 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -36.679602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.679602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.679602 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.395 local terms energy: -30.312451 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -40.744861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.744861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.744861 (E_RNA) where: Base-Base interactions energy: -14.650 where: short stacking energy: -15.424 Base-Backbone interact. energy: -0.012 local terms energy: -26.083269 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -31.455929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.455929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.455929 (E_RNA) where: Base-Base interactions energy: -5.754 where: short stacking energy: -5.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.701964 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -32.658885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658885 (E_RNA) where: Base-Base interactions energy: -9.598 where: short stacking energy: -9.598 Base-Backbone interact. energy: -0.000 local terms energy: -23.061066 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: 0.683 tors. eta vs tors. theta energy: -3.527 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: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -32.704138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.704138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.704138 (E_RNA) where: Base-Base interactions energy: -9.473 where: short stacking energy: -9.473 Base-Backbone interact. energy: -0.026 local terms energy: -23.204317 where: bonds (distance) C4'-P energy: -2.661 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -35.851832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.851832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.851832 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.603877 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -2.722 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: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -31.409715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.409715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.409715 (E_RNA) where: Base-Base interactions energy: -4.646 where: short stacking energy: -4.646 Base-Backbone interact. energy: -0.016 local terms energy: -26.747956 where: bonds (distance) C4'-P energy: -5.877 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -2.675 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: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -31.498150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.498150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.498150 (E_RNA) where: Base-Base interactions energy: -7.493 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.036 local terms energy: -23.969261 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -27.222465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.222465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.222465 (E_RNA) where: Base-Base interactions energy: -4.097 where: short stacking energy: -4.097 Base-Backbone interact. energy: -0.082 local terms energy: -23.044033 where: bonds (distance) C4'-P energy: -4.895 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -43.579229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.579229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.579229 (E_RNA) where: Base-Base interactions energy: -15.019 where: short stacking energy: -15.019 Base-Backbone interact. energy: -0.000 local terms energy: -28.560049 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -40.462462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.462462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.462462 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.035 local terms energy: -27.444773 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.392 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -32.988556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.988556 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.000 local terms energy: -23.246942 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -37.016495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.016495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.016495 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -11.396 Base-Backbone interact. energy: -0.018 local terms energy: -25.602377 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.432 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -4.227 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: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -31.855186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.855186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.855186 (E_RNA) where: Base-Base interactions energy: -8.797 where: short stacking energy: -8.797 Base-Backbone interact. energy: -0.614 local terms energy: -22.443514 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.612 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -2.288 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: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -35.983023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.983023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.983023 (E_RNA) where: Base-Base interactions energy: -10.569 where: short stacking energy: -10.569 Base-Backbone interact. energy: -0.000 local terms energy: -25.413927 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -38.247637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.247637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.247637 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -13.054 Base-Backbone interact. energy: -0.000 local terms energy: -25.193534 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -29.741600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.741600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.741600 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -8.945 Base-Backbone interact. energy: 0.107 local terms energy: -20.902820 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -1.945 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: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -27.894934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.894934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.894934 (E_RNA) where: Base-Base interactions energy: -3.587 where: short stacking energy: -3.587 Base-Backbone interact. energy: -0.008 local terms energy: -24.299653 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: 0.220 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: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -27.782346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.782346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.782346 (E_RNA) where: Base-Base interactions energy: -4.816 where: short stacking energy: -3.691 Base-Backbone interact. energy: -0.074 local terms energy: -22.892216 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -0.392 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -42.639008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.639008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.639008 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.874 local terms energy: -28.783313 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -36.538441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.538441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.538441 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.129 local terms energy: -25.603104 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -36.837742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.837742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.837742 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.018 local terms energy: -21.106219 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -1.203 tors. eta vs tors. theta energy: -1.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -38.255071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.255071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.255071 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.005 local terms energy: -27.583057 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -2.528 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: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -35.627679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.627679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.627679 (E_RNA) where: Base-Base interactions energy: -10.049 where: short stacking energy: -10.049 Base-Backbone interact. energy: -0.040 local terms energy: -25.538502 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -1.559 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: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -31.221073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.221073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.221073 (E_RNA) where: Base-Base interactions energy: -9.661 where: short stacking energy: -9.661 Base-Backbone interact. energy: -0.087 local terms energy: -21.472514 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -0.923 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: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -30.418821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.418821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.418821 (E_RNA) where: Base-Base interactions energy: -6.812 where: short stacking energy: -6.177 Base-Backbone interact. energy: -0.375 local terms energy: -23.230938 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -5.289 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -29.665614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.665614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.665614 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.263 local terms energy: -21.673502 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -1.809 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: 0.076 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: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -29.638334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.638334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.638334 (E_RNA) where: Base-Base interactions energy: -6.758 where: short stacking energy: -6.758 Base-Backbone interact. energy: -0.205 local terms energy: -22.675127 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: 2.657 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -31.583113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.583113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.583113 (E_RNA) where: Base-Base interactions energy: -10.770 where: short stacking energy: -10.770 Base-Backbone interact. energy: -0.054 local terms energy: -20.759610 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -38.887794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.887794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.887794 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.092 local terms energy: -26.838009 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -39.291394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.291394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.291394 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.000 local terms energy: -27.171387 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -2.226 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: 86 Temperature: 1.000000 Total energy: -32.881321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.881321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.881321 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.009 local terms energy: -24.158734 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -30.703636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.703636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.703636 (E_RNA) where: Base-Base interactions energy: -8.387 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.075 local terms energy: -22.242308 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -29.677579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677579 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: -3.054 Base-Backbone interact. energy: -0.090 local terms energy: -26.533863 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -1.447 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: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -33.142936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.142936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.142936 (E_RNA) where: Base-Base interactions energy: -8.129 where: short stacking energy: -8.129 Base-Backbone interact. energy: -0.080 local terms energy: -24.933272 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -33.830632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.830632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.830632 (E_RNA) where: Base-Base interactions energy: -6.875 where: short stacking energy: -6.875 Base-Backbone interact. energy: -0.012 local terms energy: -26.943782 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -28.406188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.406188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.406188 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.016 local terms energy: -19.957140 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.609 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: 1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -28.052267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.052267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.052267 (E_RNA) where: Base-Base interactions energy: -3.310 where: short stacking energy: -3.310 Base-Backbone interact. energy: -0.031 local terms energy: -24.711398 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -30.238567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.238567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.238567 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -8.725 Base-Backbone interact. energy: 0.026 local terms energy: -21.540406 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -5.017 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: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -43.296705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.296705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.296705 (E_RNA) where: Base-Base interactions energy: -15.034 where: short stacking energy: -15.034 Base-Backbone interact. energy: -0.000 local terms energy: -28.262079 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -39.295595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.295595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.295595 (E_RNA) where: Base-Base interactions energy: -12.889 where: short stacking energy: -12.889 Base-Backbone interact. energy: -0.000 local terms energy: -26.406009 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -5.943 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: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -41.659730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.659730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.659730 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.152 local terms energy: -27.776520 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -3.606 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: 87 Temperature: 1.050000 Total energy: -36.042552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.042552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.042552 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.001 local terms energy: -27.607549 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -2.157 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -34.158078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158078 (E_RNA) where: Base-Base interactions energy: -8.071 where: short stacking energy: -8.071 Base-Backbone interact. energy: -0.008 local terms energy: -26.078793 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -27.856341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.856341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.856341 (E_RNA) where: Base-Base interactions energy: -5.534 where: short stacking energy: -5.534 Base-Backbone interact. energy: -0.276 local terms energy: -22.047273 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -2.047 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -32.474592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.474592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.474592 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.002 local terms energy: -22.858540 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -31.311184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311184 (E_RNA) where: Base-Base interactions energy: -6.901 where: short stacking energy: -6.901 Base-Backbone interact. energy: -0.850 local terms energy: -23.560322 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -1.458 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: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -28.144600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.144600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.144600 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -6.353 Base-Backbone interact. energy: 0.349 local terms energy: -22.140576 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -2.903 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -27.809840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.809840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.809840 (E_RNA) where: Base-Base interactions energy: -5.113 where: short stacking energy: -3.694 Base-Backbone interact. energy: -0.000 local terms energy: -22.697047 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -40.748362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.748362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.748362 (E_RNA) where: Base-Base interactions energy: -10.347 where: short stacking energy: -10.347 Base-Backbone interact. energy: -0.130 local terms energy: -30.271122 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -37.069734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.069734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.069734 (E_RNA) where: Base-Base interactions energy: -11.473 where: short stacking energy: -11.473 Base-Backbone interact. energy: -0.070 local terms energy: -25.526798 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: 0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -34.031187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031187 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -7.088 Base-Backbone interact. energy: -0.414 local terms energy: -25.407810 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -29.786394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.786394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.786394 (E_RNA) where: Base-Base interactions energy: -8.719 where: short stacking energy: -8.719 Base-Backbone interact. energy: -0.300 local terms energy: -20.767448 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -34.355957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.355957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.355957 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.000 local terms energy: -24.400769 where: bonds (distance) C4'-P energy: -5.993 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -31.745874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745874 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.196 local terms energy: -22.514673 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 0.234 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: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -30.174999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.174999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.174999 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.128 local terms energy: -19.785966 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: 0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -28.826128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.826128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.826128 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.385 Base-Backbone interact. energy: -0.292 local terms energy: -20.332196 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -1.571 tors. eta vs tors. theta energy: 1.119 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: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -25.432334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.432334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.432334 (E_RNA) where: Base-Base interactions energy: -4.445 where: short stacking energy: -6.145 Base-Backbone interact. energy: -0.094 local terms energy: -20.893722 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -1.587 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -25.643150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.643150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.643150 (E_RNA) where: Base-Base interactions energy: -6.528 where: short stacking energy: -6.528 Base-Backbone interact. energy: -0.021 local terms energy: -19.093616 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: 1.698 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: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -41.359323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.359323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.359323 (E_RNA) where: Base-Base interactions energy: -13.955 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.019 local terms energy: -27.386121 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -40.266170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.266170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.266170 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -14.412 Base-Backbone interact. energy: -0.216 local terms energy: -25.637546 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -2.703 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: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -40.667754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667754 (E_RNA) where: Base-Base interactions energy: -11.954 where: short stacking energy: -11.954 Base-Backbone interact. energy: -0.000 local terms energy: -28.713793 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -31.430441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.430441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.430441 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.019 local terms energy: -21.693844 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -35.669665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.669665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.669665 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.094 local terms energy: -27.700001 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -32.436151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.436151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.436151 (E_RNA) where: Base-Base interactions energy: -8.634 where: short stacking energy: -8.634 Base-Backbone interact. energy: -0.100 local terms energy: -23.702093 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -5.580 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: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -32.008384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.008384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.008384 (E_RNA) where: Base-Base interactions energy: -11.145 where: short stacking energy: -11.145 Base-Backbone interact. energy: -0.186 local terms energy: -20.677761 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -3.075 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: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -29.152100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.152100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.152100 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -10.475 Base-Backbone interact. energy: -0.082 local terms energy: -18.595550 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -3.225 flat angles C4'-P-C4' energy: -3.185 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -32.528886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.528886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.528886 (E_RNA) where: Base-Base interactions energy: -6.988 where: short stacking energy: -7.401 Base-Backbone interact. energy: -0.015 local terms energy: -25.525985 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -27.229551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.229551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.229551 (E_RNA) where: Base-Base interactions energy: -5.422 where: short stacking energy: -5.422 Base-Backbone interact. energy: -0.015 local terms energy: -21.793402 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -42.395738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.395738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.395738 (E_RNA) where: Base-Base interactions energy: -15.703 where: short stacking energy: -15.703 Base-Backbone interact. energy: -1.100 local terms energy: -25.592898 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.106 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: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -39.272796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.272796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.272796 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.000 local terms energy: -25.206001 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -0.861 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: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -32.596744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.596744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.596744 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.018 local terms energy: -21.539228 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -1.157 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: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -36.544990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.544990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.544990 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.042 local terms energy: -29.500586 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -29.412878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.412878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.412878 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.086 local terms energy: -22.488887 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -31.009541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009541 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.479 local terms energy: -22.846203 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -4.730 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: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -28.155572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.155572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.155572 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.060 local terms energy: -21.392100 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -33.135991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.135991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.135991 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.060 local terms energy: -25.441903 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -3.792 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: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -31.592224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.592224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.592224 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.002 local terms energy: -22.418600 where: bonds (distance) C4'-P energy: -6.067 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -25.081417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.081417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.081417 (E_RNA) where: Base-Base interactions energy: -2.887 where: short stacking energy: -2.887 Base-Backbone interact. energy: -0.026 local terms energy: -22.168046 where: bonds (distance) C4'-P energy: -3.620 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -1.548 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: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -39.012108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.012108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.012108 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.002 local terms energy: -28.293704 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -36.449797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449797 (E_RNA) where: Base-Base interactions energy: -13.319 where: short stacking energy: -13.319 Base-Backbone interact. energy: -0.023 local terms energy: -23.108116 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -31.947925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.947925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.947925 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.036 local terms energy: -23.711603 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -0.970 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: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -31.926227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.926227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.926227 (E_RNA) where: Base-Base interactions energy: -11.147 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.001 local terms energy: -20.778435 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -31.374350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.374350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.374350 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.071 local terms energy: -20.477377 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -0.999 tors. eta vs tors. theta energy: -1.918 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -33.975985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.975985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.975985 (E_RNA) where: Base-Base interactions energy: -9.576 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.100 local terms energy: -24.300170 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -30.355295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.355295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.355295 (E_RNA) where: Base-Base interactions energy: -11.261 where: short stacking energy: -11.261 Base-Backbone interact. energy: -0.093 local terms energy: -19.001698 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: 0.001 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: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -28.363887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.363887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.363887 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.001 local terms energy: -18.060207 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -1.156 tors. eta vs tors. theta energy: 2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -31.622529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.622529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.622529 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -10.439 Base-Backbone interact. energy: -1.079 local terms energy: -21.003576 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -28.155431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.155431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.155431 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.067 local terms energy: -21.155232 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -1.421 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: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -36.574412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.574412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.574412 (E_RNA) where: Base-Base interactions energy: -10.398 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.001 local terms energy: -26.176264 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.884 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -37.267428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.267428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.267428 (E_RNA) where: Base-Base interactions energy: -11.121 where: short stacking energy: -11.121 Base-Backbone interact. energy: -0.003 local terms energy: -26.143308 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -3.179 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: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -37.216347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.216347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.216347 (E_RNA) where: Base-Base interactions energy: -13.825 where: short stacking energy: -13.825 Base-Backbone interact. energy: -0.862 local terms energy: -22.529657 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -33.148030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148030 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.096 local terms energy: -24.150886 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -2.395 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: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -36.619335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.619335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.619335 (E_RNA) where: Base-Base interactions energy: -9.963 where: short stacking energy: -9.963 Base-Backbone interact. energy: -0.093 local terms energy: -26.563413 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -36.716675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716675 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: -0.006 local terms energy: -23.285645 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -2.527 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -4.196 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: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -30.844480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.844480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.844480 (E_RNA) where: Base-Base interactions energy: -3.781 where: short stacking energy: -3.781 Base-Backbone interact. energy: -0.038 local terms energy: -27.025222 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -3.327 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: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -32.549269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.549269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.549269 (E_RNA) where: Base-Base interactions energy: -4.794 where: short stacking energy: -4.794 Base-Backbone interact. energy: -0.050 local terms energy: -27.705057 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -28.247204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.247204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.247204 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.065 local terms energy: -22.673169 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.951 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -34.862506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.862506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.862506 (E_RNA) where: Base-Base interactions energy: -9.301 where: short stacking energy: -9.301 Base-Backbone interact. energy: -0.001 local terms energy: -25.561330 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.241 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: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -40.394993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.394993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.394993 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.110 local terms energy: -25.422428 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -41.131548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.131548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.131548 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.262 local terms energy: -28.221684 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -42.091648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.091648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.091648 (E_RNA) where: Base-Base interactions energy: -14.257 where: short stacking energy: -14.257 Base-Backbone interact. energy: -0.000 local terms energy: -27.834965 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -34.468083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.468083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.468083 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.774 Base-Backbone interact. energy: -0.399 local terms energy: -26.295125 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -31.689310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.689310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.689310 (E_RNA) where: Base-Base interactions energy: -9.491 where: short stacking energy: -9.639 Base-Backbone interact. energy: -0.455 local terms energy: -21.742919 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -2.501 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -29.146819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.146819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.146819 (E_RNA) where: Base-Base interactions energy: -4.838 where: short stacking energy: -3.741 Base-Backbone interact. energy: -0.109 local terms energy: -24.199885 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -5.762 tors. eta vs tors. theta energy: -0.467 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: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -29.638601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.638601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.638601 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.032 local terms energy: -21.896072 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -31.838289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.838289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.838289 (E_RNA) where: Base-Base interactions energy: -6.722 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.000 local terms energy: -25.115957 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -3.395 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: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -31.312425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.312425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.312425 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -9.396 Base-Backbone interact. energy: -0.044 local terms energy: -21.872495 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -2.312 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: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -29.930796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930796 (E_RNA) where: Base-Base interactions energy: -7.068 where: short stacking energy: -7.068 Base-Backbone interact. energy: -0.001 local terms energy: -22.861202 where: bonds (distance) C4'-P energy: -3.176 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -3.032 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: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -35.280285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.280285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.280285 (E_RNA) where: Base-Base interactions energy: -7.263 where: short stacking energy: -7.263 Base-Backbone interact. energy: -0.047 local terms energy: -27.970632 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -40.980123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.980123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.980123 (E_RNA) where: Base-Base interactions energy: -10.914 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.097 local terms energy: -29.969585 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -38.167442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.167442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.167442 (E_RNA) where: Base-Base interactions energy: -15.010 where: short stacking energy: -15.010 Base-Backbone interact. energy: -0.004 local terms energy: -23.152636 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -2.062 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -30.713452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.713452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.713452 (E_RNA) where: Base-Base interactions energy: -11.309 where: short stacking energy: -11.309 Base-Backbone interact. energy: -0.026 local terms energy: -19.378652 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: 0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -31.753206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.753206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.753206 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -8.061 Base-Backbone interact. energy: -0.084 local terms energy: -24.208251 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -35.709118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.709118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.709118 (E_RNA) where: Base-Base interactions energy: -11.284 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.000 local terms energy: -24.424731 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -31.316447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.316447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.316447 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.090 local terms energy: -26.407311 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -35.755991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.755991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.755991 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.052 local terms energy: -24.911580 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: 0.115 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: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -32.829206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.829206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.829206 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.032 local terms energy: -20.630137 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -25.599956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.599956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.599956 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.342 local terms energy: -17.549173 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.563 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -39.704517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.704517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.704517 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.071 Base-Backbone interact. energy: -0.000 local terms energy: -27.633187 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -3.193 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: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -38.381702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.381702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.381702 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.063 local terms energy: -27.022345 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -1.442 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: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -32.760653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760653 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.107 local terms energy: -24.769540 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -1.040 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: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -37.832135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832135 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.098 local terms energy: -27.137497 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -35.099662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.099662 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.006 local terms energy: -23.589484 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -5.187 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: 9 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -30.284888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.284888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.284888 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.020 local terms energy: -22.661191 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -26.355021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.355021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.355021 (E_RNA) where: Base-Base interactions energy: -4.598 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.075 local terms energy: -21.681981 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -30.876032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.876032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.876032 (E_RNA) where: Base-Base interactions energy: -8.113 where: short stacking energy: -8.113 Base-Backbone interact. energy: -0.000 local terms energy: -22.763144 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -30.665284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.665284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.665284 (E_RNA) where: Base-Base interactions energy: -8.011 where: short stacking energy: -8.011 Base-Backbone interact. energy: -0.285 local terms energy: -22.369157 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.492 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: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -28.068262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.068262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.068262 (E_RNA) where: Base-Base interactions energy: -5.540 where: short stacking energy: -5.540 Base-Backbone interact. energy: -0.641 local terms energy: -21.887679 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: 0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -42.496276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.496276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.496276 (E_RNA) where: Base-Base interactions energy: -13.958 where: short stacking energy: -13.958 Base-Backbone interact. energy: -0.000 local terms energy: -28.537902 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.177 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: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -41.979966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.979966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.979966 (E_RNA) where: Base-Base interactions energy: -15.157 where: short stacking energy: -15.157 Base-Backbone interact. energy: -0.000 local terms energy: -26.823198 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -36.440304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.440304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.440304 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.071 local terms energy: -24.345384 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -1.438 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: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -27.317496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317496 (E_RNA) where: Base-Base interactions energy: -7.882 where: short stacking energy: -7.882 Base-Backbone interact. energy: -0.266 local terms energy: -19.169920 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -0.555 tors. eta vs tors. theta energy: 1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -36.876169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.876169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.876169 (E_RNA) where: Base-Base interactions energy: -14.508 where: short stacking energy: -14.508 Base-Backbone interact. energy: -0.000 local terms energy: -22.367545 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -2.863 flat angles P-C4'-P energy: -1.047 tors. eta vs tors. theta energy: -5.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -29.587847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.587847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.587847 (E_RNA) where: Base-Base interactions energy: -4.525 where: short stacking energy: -4.525 Base-Backbone interact. energy: -0.131 local terms energy: -24.931189 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -33.551629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.551629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.551629 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.000 local terms energy: -25.653840 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.953 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: 8, replica: 3 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -30.228080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.228080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.228080 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.002 local terms energy: -22.193914 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -0.789 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: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -34.442429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.442429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.442429 (E_RNA) where: Base-Base interactions energy: -10.671 where: short stacking energy: -10.671 Base-Backbone interact. energy: -0.001 local terms energy: -23.770533 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -33.414324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.414324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.414324 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.662 Base-Backbone interact. energy: -0.000 local terms energy: -21.752631 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -3.515 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: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -41.139727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.139727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.139727 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -13.723 Base-Backbone interact. energy: -0.095 local terms energy: -27.321535 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -37.509787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.509787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.509787 (E_RNA) where: Base-Base interactions energy: -12.220 where: short stacking energy: -12.220 Base-Backbone interact. energy: -0.200 local terms energy: -25.090043 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -1.726 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: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -43.538845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.538845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.538845 (E_RNA) where: Base-Base interactions energy: -12.572 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.000 local terms energy: -30.966478 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -5.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -33.065116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.065116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.065116 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.000 local terms energy: -25.060411 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -35.800002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.800002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.800002 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.053 local terms energy: -26.585078 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -2.677 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: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -33.834220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834220 (E_RNA) where: Base-Base interactions energy: -9.317 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.007 local terms energy: -24.510247 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -1.279 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: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -34.224181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.224181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.224181 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.004 local terms energy: -26.665272 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -29.728821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728821 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -4.618 Base-Backbone interact. energy: -0.002 local terms energy: -21.842191 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -26.934754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.934754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.934754 (E_RNA) where: Base-Base interactions energy: -5.196 where: short stacking energy: -5.196 Base-Backbone interact. energy: -0.002 local terms energy: -21.736590 where: bonds (distance) C4'-P energy: -3.588 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -28.873241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.873241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.873241 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.000 local terms energy: -22.076901 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.079 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -38.357035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.357035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.357035 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.000 local terms energy: -26.744659 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -36.728986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.728986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.728986 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.020 local terms energy: -22.795388 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.293 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -35.953530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.953530 (E_RNA) where: Base-Base interactions energy: -6.375 where: short stacking energy: -6.741 Base-Backbone interact. energy: -0.000 local terms energy: -29.577871 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -34.352118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.352118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.352118 (E_RNA) where: Base-Base interactions energy: -12.093 where: short stacking energy: -12.093 Base-Backbone interact. energy: -0.000 local terms energy: -22.259263 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -0.568 tors. eta vs tors. theta energy: -4.290 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: 10 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -31.568691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.568691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.568691 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.077 local terms energy: -20.077510 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: 0.296 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: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -30.827105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.827105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.827105 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: -5.795 Base-Backbone interact. energy: -0.001 local terms energy: -25.031457 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -2.701 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: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -33.153991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.153991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.153991 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: 0.533 local terms energy: -26.557601 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -2.098 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -27.034587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.034587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.034587 (E_RNA) where: Base-Base interactions energy: -5.981 where: short stacking energy: -5.981 Base-Backbone interact. energy: -1.284 local terms energy: -19.769024 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: 1.833 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: 9, replica: 8 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -33.536978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.536978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.536978 (E_RNA) where: Base-Base interactions energy: -9.281 where: short stacking energy: -9.281 Base-Backbone interact. energy: -0.001 local terms energy: -24.255490 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -4.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -30.487467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487467 (E_RNA) where: Base-Base interactions energy: -5.891 where: short stacking energy: -5.891 Base-Backbone interact. energy: -0.000 local terms energy: -24.596331 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -38.685805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.685805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.685805 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.027 local terms energy: -25.718296 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -1.588 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: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -34.797324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.797324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.797324 (E_RNA) where: Base-Base interactions energy: -6.088 where: short stacking energy: -6.088 Base-Backbone interact. energy: -0.000 local terms energy: -28.709281 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -37.999303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.999303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.999303 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -1.009 local terms energy: -24.622972 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -35.664589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.664589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.664589 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.001 local terms energy: -27.647103 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -5.231 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: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -38.650386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650386 (E_RNA) where: Base-Base interactions energy: -11.109 where: short stacking energy: -11.109 Base-Backbone interact. energy: -0.003 local terms energy: -27.537823 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.957 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: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -31.762562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762562 (E_RNA) where: Base-Base interactions energy: -6.691 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.000 local terms energy: -25.071559 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -36.120439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.120439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.120439 (E_RNA) where: Base-Base interactions energy: -12.093 where: short stacking energy: -12.093 Base-Backbone interact. energy: -0.004 local terms energy: -24.023661 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -30.267817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.267817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.267817 (E_RNA) where: Base-Base interactions energy: -6.031 where: short stacking energy: -6.031 Base-Backbone interact. energy: -0.000 local terms energy: -24.236408 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -30.230445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230445 (E_RNA) where: Base-Base interactions energy: -6.552 where: short stacking energy: -6.552 Base-Backbone interact. energy: -0.005 local terms energy: -23.673330 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -0.891 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: 3 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -27.890588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.890588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.890588 (E_RNA) where: Base-Base interactions energy: -7.784 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.031 local terms energy: -20.075253 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: 1.758 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: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -36.585888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.585888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.585888 (E_RNA) where: Base-Base interactions energy: -11.644 where: short stacking energy: -11.644 Base-Backbone interact. energy: -0.028 local terms energy: -24.914165 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -37.696194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696194 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.094 local terms energy: -26.413430 where: bonds (distance) C4'-P energy: -5.338 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -35.277223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.277223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.277223 (E_RNA) where: Base-Base interactions energy: -10.764 where: short stacking energy: -10.764 Base-Backbone interact. energy: -0.000 local terms energy: -24.512579 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -35.708263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.708263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.708263 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.000 local terms energy: -24.299880 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -2.929 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -35.269692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.269692 (E_RNA) where: Base-Base interactions energy: -9.046 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.130 local terms energy: -26.094146 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -1.945 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: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -30.668524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.668524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.668524 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.131 local terms energy: -22.785708 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -31.986834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.986834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.986834 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.001 local terms energy: -24.445541 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -3.920 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: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -29.989866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.989866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.989866 (E_RNA) where: Base-Base interactions energy: -7.818 where: short stacking energy: -7.818 Base-Backbone interact. energy: -0.000 local terms energy: -22.172007 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -4.701 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.328 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: 9, replica: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -32.740367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740367 (E_RNA) where: Base-Base interactions energy: -6.670 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.104 local terms energy: -25.965472 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -25.003654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.003654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.003654 (E_RNA) where: Base-Base interactions energy: -4.820 where: short stacking energy: -4.820 Base-Backbone interact. energy: -0.112 local terms energy: -20.072557 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -2.214 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: 0.525 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: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -45.291869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.291869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.291869 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.000 local terms energy: -29.801821 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -35.302207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.302207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.302207 (E_RNA) where: Base-Base interactions energy: -5.750 where: short stacking energy: -5.750 Base-Backbone interact. energy: -0.007 local terms energy: -29.544879 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -3.607 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: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -35.807885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.807885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.807885 (E_RNA) where: Base-Base interactions energy: -14.171 where: short stacking energy: -14.171 Base-Backbone interact. energy: -0.077 local terms energy: -21.559329 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -1.630 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: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -30.514986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.514986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.514986 (E_RNA) where: Base-Base interactions energy: -3.624 where: short stacking energy: -3.624 Base-Backbone interact. energy: -0.157 local terms energy: -26.734631 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -31.346469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.346469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.346469 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.025 local terms energy: -23.669872 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: 0.075 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -31.291972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.291972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.291972 (E_RNA) where: Base-Base interactions energy: -9.651 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.126 local terms energy: -21.514853 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: 1.640 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: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -33.181743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.181743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.181743 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: -0.000 local terms energy: -22.966726 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -30.241202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.241202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.241202 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.108 local terms energy: -19.302074 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: 2.548 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: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -31.113384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.113384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.113384 (E_RNA) where: Base-Base interactions energy: -8.498 where: short stacking energy: -8.498 Base-Backbone interact. energy: -0.086 local terms energy: -22.529698 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -26.923801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.923801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.923801 (E_RNA) where: Base-Base interactions energy: -3.403 where: short stacking energy: -3.403 Base-Backbone interact. energy: -0.018 local terms energy: -23.502228 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -43.502949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.502949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.502949 (E_RNA) where: Base-Base interactions energy: -13.279 where: short stacking energy: -13.279 Base-Backbone interact. energy: -0.001 local terms energy: -30.222488 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -37.415041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.415041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.415041 (E_RNA) where: Base-Base interactions energy: -10.477 where: short stacking energy: -10.477 Base-Backbone interact. energy: -0.000 local terms energy: -26.937973 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -3.723 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: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -35.219968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.219968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.219968 (E_RNA) where: Base-Base interactions energy: -6.096 where: short stacking energy: -6.096 Base-Backbone interact. energy: -0.000 local terms energy: -29.123763 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -36.575044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.575044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.575044 (E_RNA) where: Base-Base interactions energy: -9.159 where: short stacking energy: -9.159 Base-Backbone interact. energy: -0.128 local terms energy: -27.287840 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -33.277164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.277164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.277164 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.002 local terms energy: -25.296726 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -4.585 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -34.023582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.023582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.023582 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.049 local terms energy: -22.859525 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -29.112771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.112771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.112771 (E_RNA) where: Base-Base interactions energy: -6.336 where: short stacking energy: -6.336 Base-Backbone interact. energy: -0.002 local terms energy: -22.775351 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -28.628614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.628614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.628614 (E_RNA) where: Base-Base interactions energy: -5.648 where: short stacking energy: -5.648 Base-Backbone interact. energy: -0.005 local terms energy: -22.975241 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -29.531297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.531297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.531297 (E_RNA) where: Base-Base interactions energy: -6.536 where: short stacking energy: -6.712 Base-Backbone interact. energy: -0.012 local terms energy: -22.984150 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -3.691 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -2.012 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: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -29.179486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.179486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.179486 (E_RNA) where: Base-Base interactions energy: -4.936 where: short stacking energy: -3.942 Base-Backbone interact. energy: -0.105 local terms energy: -24.138624 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -2.997 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: 103 Temperature: 0.900000 Total energy: -45.461928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.461928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.461928 (E_RNA) where: Base-Base interactions energy: -15.814 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.447 local terms energy: -29.200979 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -5.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -34.590520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.590520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.590520 (E_RNA) where: Base-Base interactions energy: -12.126 where: short stacking energy: -12.126 Base-Backbone interact. energy: -0.100 local terms energy: -22.363832 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -3.614 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: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -36.521718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.521718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.521718 (E_RNA) where: Base-Base interactions energy: -11.194 where: short stacking energy: -11.194 Base-Backbone interact. energy: -0.000 local terms energy: -25.327178 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -38.198958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.198958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.198958 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -11.898 Base-Backbone interact. energy: -0.009 local terms energy: -26.292680 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -5.054 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: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -34.276353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.276353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.276353 (E_RNA) where: Base-Base interactions energy: -8.131 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.279 local terms energy: -25.866322 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -0.780 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: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -32.543700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543700 (E_RNA) where: Base-Base interactions energy: -8.787 where: short stacking energy: -8.787 Base-Backbone interact. energy: -0.000 local terms energy: -23.756597 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -4.317 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: 103 Temperature: 1.200000 Total energy: -32.002399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.002399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.002399 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.014 local terms energy: -21.655807 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -32.002727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.002727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.002727 (E_RNA) where: Base-Base interactions energy: -9.624 where: short stacking energy: -9.624 Base-Backbone interact. energy: -0.028 local terms energy: -22.350603 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -29.770019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.770019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.770019 (E_RNA) where: Base-Base interactions energy: -6.275 where: short stacking energy: -6.275 Base-Backbone interact. energy: -0.000 local terms energy: -23.495004 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -0.592 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -30.122599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122599 (E_RNA) where: Base-Base interactions energy: -6.896 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.869 local terms energy: -22.357810 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -1.156 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: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -36.622549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.622549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.622549 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.074 local terms energy: -26.017740 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -39.170486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.170486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.170486 (E_RNA) where: Base-Base interactions energy: -12.982 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.003 local terms energy: -26.185191 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -32.907196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907196 (E_RNA) where: Base-Base interactions energy: -8.903 where: short stacking energy: -8.903 Base-Backbone interact. energy: 0.033 local terms energy: -24.037003 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: 2.509 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: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -36.339058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.339058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.339058 (E_RNA) where: Base-Base interactions energy: -10.490 where: short stacking energy: -10.490 Base-Backbone interact. energy: -0.100 local terms energy: -25.748687 where: bonds (distance) C4'-P energy: -5.255 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -34.274282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.274282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.274282 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.086 local terms energy: -23.166184 where: bonds (distance) C4'-P energy: -5.884 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -30.123780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.123780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.123780 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -4.789 Base-Backbone interact. energy: -0.271 local terms energy: -21.793283 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: 0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -33.101479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.101479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.101479 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.024 local terms energy: -23.443365 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -32.570727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.570727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.570727 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.721 local terms energy: -25.325217 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -6.241 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: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -32.478147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.478147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.478147 (E_RNA) where: Base-Base interactions energy: -9.163 where: short stacking energy: -9.163 Base-Backbone interact. energy: -0.126 local terms energy: -23.188589 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -5.545 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -1.389 tors. eta vs tors. theta energy: -3.947 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: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -28.069602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.069602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.069602 (E_RNA) where: Base-Base interactions energy: -5.854 where: short stacking energy: -5.132 Base-Backbone interact. energy: -0.126 local terms energy: -22.089369 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -0.968 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: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -36.768237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768237 (E_RNA) where: Base-Base interactions energy: -7.535 where: short stacking energy: -7.535 Base-Backbone interact. energy: -0.000 local terms energy: -29.232651 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -34.327606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.327606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.327606 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -9.986 Base-Backbone interact. energy: -0.097 local terms energy: -24.244242 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -0.458 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: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -37.015979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.015979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.015979 (E_RNA) where: Base-Base interactions energy: -10.419 where: short stacking energy: -10.419 Base-Backbone interact. energy: -0.004 local terms energy: -26.593117 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -3.888 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -33.041482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.041482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.041482 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.032 local terms energy: -24.676893 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -32.143444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143444 (E_RNA) where: Base-Base interactions energy: -8.210 where: short stacking energy: -8.210 Base-Backbone interact. energy: -0.004 local terms energy: -23.928968 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -32.309274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.309274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.309274 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -5.684 Base-Backbone interact. energy: -0.545 local terms energy: -24.225149 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -1.957 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -28.941558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.941558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.941558 (E_RNA) where: Base-Base interactions energy: -3.546 where: short stacking energy: -3.546 Base-Backbone interact. energy: -0.118 local terms energy: -25.278056 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.360 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: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -29.575213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.575213 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: -0.053 local terms energy: -20.769768 where: bonds (distance) C4'-P energy: -4.440 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -33.336592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.336592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.336592 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.071 local terms energy: -23.155142 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.488 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -28.367702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.367702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.367702 (E_RNA) where: Base-Base interactions energy: -1.835 where: short stacking energy: -1.835 Base-Backbone interact. energy: -0.001 local terms energy: -26.531995 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -2.106 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: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -40.428006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.428006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.428006 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.008 local terms energy: -29.156028 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -42.979657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.979657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.979657 (E_RNA) where: Base-Base interactions energy: -15.083 where: short stacking energy: -15.083 Base-Backbone interact. energy: -0.000 local terms energy: -27.897020 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -36.555608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.555608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.555608 (E_RNA) where: Base-Base interactions energy: -12.246 where: short stacking energy: -11.812 Base-Backbone interact. energy: -0.003 local terms energy: -24.306849 where: bonds (distance) C4'-P energy: -3.612 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.711 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: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -34.808766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.808766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.808766 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.024 local terms energy: -23.190623 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -36.436561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.436561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.436561 (E_RNA) where: Base-Base interactions energy: -9.523 where: short stacking energy: -9.523 Base-Backbone interact. energy: -1.125 local terms energy: -25.787800 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.826 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -30.972898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.972898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.972898 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: 0.772 local terms energy: -22.860423 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -35.401090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.401090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.401090 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.000 local terms energy: -28.485262 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -32.363813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.363813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.363813 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.009 local terms energy: -24.870399 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -31.879805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.879805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.879805 (E_RNA) where: Base-Base interactions energy: -8.566 where: short stacking energy: -7.564 Base-Backbone interact. energy: 0.240 local terms energy: -23.553878 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -37.929302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.929302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.929302 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -9.560 Base-Backbone interact. energy: -0.099 local terms energy: -28.270290 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -39.967194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.967194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.967194 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.001 local terms energy: -29.049498 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -4.541 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: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -36.381407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.381407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.381407 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.000 local terms energy: -28.871445 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -4.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -33.562749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.562749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.562749 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.218 local terms energy: -24.849022 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -35.453550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.453550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.453550 (E_RNA) where: Base-Base interactions energy: -11.995 where: short stacking energy: -11.995 Base-Backbone interact. energy: -0.419 local terms energy: -23.039415 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -3.120 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: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -35.638718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.638718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.638718 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.098 local terms energy: -26.641411 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -31.710557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.710557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.710557 (E_RNA) where: Base-Base interactions energy: -10.276 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.000 local terms energy: -21.434400 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: 0.053 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: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -30.592852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.592852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.592852 (E_RNA) where: Base-Base interactions energy: -6.169 where: short stacking energy: -6.169 Base-Backbone interact. energy: -0.000 local terms energy: -24.424338 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -29.646043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.646043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.646043 (E_RNA) where: Base-Base interactions energy: -4.658 where: short stacking energy: -4.658 Base-Backbone interact. energy: -0.000 local terms energy: -24.987094 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -32.891900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891900 (E_RNA) where: Base-Base interactions energy: -10.499 where: short stacking energy: -10.499 Base-Backbone interact. energy: -0.002 local terms energy: -22.390494 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -0.181 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -30.764174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764174 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: -6.126 Base-Backbone interact. energy: -0.001 local terms energy: -24.637437 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -40.409973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.409973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.409973 (E_RNA) where: Base-Base interactions energy: -14.761 where: short stacking energy: -14.761 Base-Backbone interact. energy: -0.021 local terms energy: -25.628116 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -2.778 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: 2, replica: 7 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -38.888275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.888275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.888275 (E_RNA) where: Base-Base interactions energy: -12.170 where: short stacking energy: -12.170 Base-Backbone interact. energy: -0.021 local terms energy: -26.697888 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -1.028 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: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -40.181801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.181801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.181801 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.000 local terms energy: -27.980281 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -35.766261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.766261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.766261 (E_RNA) where: Base-Base interactions energy: -7.157 where: short stacking energy: -7.157 Base-Backbone interact. energy: -0.002 local terms energy: -28.606539 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.858 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -3.390 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: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -38.259961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.259961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.259961 (E_RNA) where: Base-Base interactions energy: -9.750 where: short stacking energy: -9.750 Base-Backbone interact. energy: -0.088 local terms energy: -28.421933 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -32.439281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439281 (E_RNA) where: Base-Base interactions energy: -6.242 where: short stacking energy: -6.242 Base-Backbone interact. energy: -0.013 local terms energy: -26.184049 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: 0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -31.006333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006333 (E_RNA) where: Base-Base interactions energy: -8.920 where: short stacking energy: -8.920 Base-Backbone interact. energy: -0.169 local terms energy: -21.917454 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: 1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -29.724210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.724210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.724210 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: -5.726 Base-Backbone interact. energy: -0.154 local terms energy: -23.844056 where: bonds (distance) C4'-P energy: -3.662 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -26.809386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.809386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.809386 (E_RNA) where: Base-Base interactions energy: -4.796 where: short stacking energy: -4.796 Base-Backbone interact. energy: -0.120 local terms energy: -21.893051 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: 1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -30.642901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.642901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.642901 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.099 local terms energy: -23.368719 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -3.335 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -46.674953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.674953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.674953 (E_RNA) where: Base-Base interactions energy: -15.593 where: short stacking energy: -15.593 Base-Backbone interact. energy: -0.000 local terms energy: -31.082244 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -6.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -38.146324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146324 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -11.272 Base-Backbone interact. energy: -0.048 local terms energy: -25.531433 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -35.223905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.223905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.223905 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.027 local terms energy: -24.570732 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -35.434463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.434463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.434463 (E_RNA) where: Base-Base interactions energy: -10.850 where: short stacking energy: -10.850 Base-Backbone interact. energy: -0.000 local terms energy: -24.583868 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -2.268 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: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -31.385980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.385980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.385980 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.074 local terms energy: -23.786185 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -34.548758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.548758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.548758 (E_RNA) where: Base-Base interactions energy: -10.902 where: short stacking energy: -10.902 Base-Backbone interact. energy: -0.057 local terms energy: -23.590150 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.326 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: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -31.622251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.622251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.622251 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.001 local terms energy: -23.204466 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -6.573 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -36.164691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.164691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.164691 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.000 local terms energy: -25.348562 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -30.198009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.198009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.198009 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -8.030 Base-Backbone interact. energy: -0.038 local terms energy: -20.755217 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -30.195462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.195462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.195462 (E_RNA) where: Base-Base interactions energy: -5.565 where: short stacking energy: -5.565 Base-Backbone interact. energy: -0.084 local terms energy: -24.546172 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -35.688523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.688523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.688523 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.151 local terms energy: -24.975557 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -0.576 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: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -41.361763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.361763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.361763 (E_RNA) where: Base-Base interactions energy: -14.435 where: short stacking energy: -14.435 Base-Backbone interact. energy: -0.000 local terms energy: -26.926597 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -40.228595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.228595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.228595 (E_RNA) where: Base-Base interactions energy: -15.127 where: short stacking energy: -15.127 Base-Backbone interact. energy: -0.010 local terms energy: -25.091712 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -38.299725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.299725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.299725 (E_RNA) where: Base-Base interactions energy: -10.140 where: short stacking energy: -10.140 Base-Backbone interact. energy: -0.000 local terms energy: -28.160139 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -34.362031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.362031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.362031 (E_RNA) where: Base-Base interactions energy: -11.984 where: short stacking energy: -11.984 Base-Backbone interact. energy: -0.127 local terms energy: -22.251853 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -2.859 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: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -30.718999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718999 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.087 local terms energy: -21.178001 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -0.411 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: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -34.605628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605628 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.069 local terms energy: -23.655438 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -1.773 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: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -33.021890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.021890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.021890 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.012 local terms energy: -24.876597 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -27.719220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.719220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.719220 (E_RNA) where: Base-Base interactions energy: -4.220 where: short stacking energy: -4.220 Base-Backbone interact. energy: -0.009 local terms energy: -23.491072 where: bonds (distance) C4'-P energy: -4.709 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -28.030897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030897 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: -5.313 Base-Backbone interact. energy: -1.030 local terms energy: -21.688581 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -1.710 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -35.761566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.761566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.761566 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.028 local terms energy: -24.960405 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -37.492784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492784 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -9.637 Base-Backbone interact. energy: -0.058 local terms energy: -25.103557 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -1.436 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -36.989273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.989273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.989273 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.002 local terms energy: -26.840124 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.186 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: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -33.856686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.856686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.856686 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.056 local terms energy: -26.965174 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.347 flat angles P-C4'-P energy: -4.688 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: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -29.993756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993756 (E_RNA) where: Base-Base interactions energy: -7.057 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.046 local terms energy: -22.890483 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: 0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -32.621553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.621553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.621553 (E_RNA) where: Base-Base interactions energy: -8.283 where: short stacking energy: -8.283 Base-Backbone interact. energy: -0.000 local terms energy: -24.338580 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -28.289235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289235 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.013 local terms energy: -20.579898 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: 0.913 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: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -26.955202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.955202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.955202 (E_RNA) where: Base-Base interactions energy: -4.352 where: short stacking energy: -4.352 Base-Backbone interact. energy: -0.428 local terms energy: -22.174303 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -0.318 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -30.282916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.282916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.282916 (E_RNA) where: Base-Base interactions energy: -2.853 where: short stacking energy: -2.853 Base-Backbone interact. energy: -0.000 local terms energy: -27.429900 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -27.842291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.842291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.842291 (E_RNA) where: Base-Base interactions energy: -10.687 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.049 local terms energy: -17.105995 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -0.285 tors. eta vs tors. theta energy: 1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -37.613243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.613243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.613243 (E_RNA) where: Base-Base interactions energy: -14.248 where: short stacking energy: -14.248 Base-Backbone interact. energy: -0.010 local terms energy: -23.355022 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.396 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -37.379861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.379861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.379861 (E_RNA) where: Base-Base interactions energy: -9.441 where: short stacking energy: -9.441 Base-Backbone interact. energy: -0.000 local terms energy: -27.938980 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -38.553558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.553558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.553558 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -9.218 Base-Backbone interact. energy: -0.055 local terms energy: -26.906128 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -36.363386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.363386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.363386 (E_RNA) where: Base-Base interactions energy: -13.619 where: short stacking energy: -13.619 Base-Backbone interact. energy: -0.080 local terms energy: -22.664662 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -2.103 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -2.789 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: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -34.739252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.739252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.739252 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.021 local terms energy: -26.517688 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -31.954290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954290 (E_RNA) where: Base-Base interactions energy: -9.571 where: short stacking energy: -9.571 Base-Backbone interact. energy: -0.013 local terms energy: -22.370120 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -1.139 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -30.772193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772193 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: -0.095 local terms energy: -23.371688 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -4.579 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: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -31.617392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617392 (E_RNA) where: Base-Base interactions energy: -7.386 where: short stacking energy: -7.386 Base-Backbone interact. energy: -0.111 local terms energy: -24.121151 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: 1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -30.939932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.939932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.939932 (E_RNA) where: Base-Base interactions energy: -8.139 where: short stacking energy: -8.139 Base-Backbone interact. energy: -0.017 local terms energy: -22.784480 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -27.711576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.711576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.711576 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -2.569 Base-Backbone interact. energy: -0.112 local terms energy: -20.250515 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -3.926 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -0.310 tors. eta vs tors. theta energy: -3.338 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: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -44.299678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.299678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.299678 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.000 local terms energy: -29.928192 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -40.630211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.630211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.630211 (E_RNA) where: Base-Base interactions energy: -16.096 where: short stacking energy: -16.096 Base-Backbone interact. energy: -0.000 local terms energy: -24.534610 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -2.597 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -29.759268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.759268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.759268 (E_RNA) where: Base-Base interactions energy: -6.299 where: short stacking energy: -6.337 Base-Backbone interact. energy: -0.178 local terms energy: -23.282190 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -37.423974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423974 (E_RNA) where: Base-Base interactions energy: -11.565 where: short stacking energy: -11.565 Base-Backbone interact. energy: -0.010 local terms energy: -25.848401 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -2.053 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: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -40.601256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.601256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.601256 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.001 local terms energy: -28.089590 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -4.800 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -28.941097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.941097 (E_RNA) where: Base-Base interactions energy: -4.644 where: short stacking energy: -4.644 Base-Backbone interact. energy: -0.034 local terms energy: -24.263035 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -0.626 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: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -29.227625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.227625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.227625 (E_RNA) where: Base-Base interactions energy: -6.564 where: short stacking energy: -6.564 Base-Backbone interact. energy: -0.103 local terms energy: -22.560520 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -33.363992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.363992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.363992 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.062 local terms energy: -22.448879 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -6.031 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: 0.973 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: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -34.176196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.176196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.176196 (E_RNA) where: Base-Base interactions energy: -9.981 where: short stacking energy: -9.981 Base-Backbone interact. energy: -0.000 local terms energy: -24.194522 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -1.434 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: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -31.376739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.376739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.376739 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.186 local terms energy: -23.596741 where: bonds (distance) C4'-P energy: -5.107 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -47.388520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.388520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.388520 (E_RNA) where: Base-Base interactions energy: -15.188 where: short stacking energy: -15.188 Base-Backbone interact. energy: -0.000 local terms energy: -32.200140 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -41.759262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.759262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.759262 (E_RNA) where: Base-Base interactions energy: -15.091 where: short stacking energy: -15.091 Base-Backbone interact. energy: -1.046 local terms energy: -25.623015 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -3.167 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -35.602721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.602721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.602721 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.010 local terms energy: -28.086418 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -4.069 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: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -35.764839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.764839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.764839 (E_RNA) where: Base-Base interactions energy: -13.785 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.014 local terms energy: -21.965770 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -34.817115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.817115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.817115 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.022 local terms energy: -21.680116 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -1.258 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -30.124368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.124368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.124368 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.000 local terms energy: -23.599677 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -31.752391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.752391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.752391 (E_RNA) where: Base-Base interactions energy: -9.920 where: short stacking energy: -9.920 Base-Backbone interact. energy: 0.397 local terms energy: -22.229144 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -28.865139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.865139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.865139 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -5.799 Base-Backbone interact. energy: -0.078 local terms energy: -21.794668 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -25.998529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.998529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.998529 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.088 local terms energy: -17.749279 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -2.094 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: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -32.668403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668403 (E_RNA) where: Base-Base interactions energy: -6.556 where: short stacking energy: -6.556 Base-Backbone interact. energy: -0.000 local terms energy: -26.112271 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -3.444 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: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -39.659879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.659879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.659879 (E_RNA) where: Base-Base interactions energy: -15.859 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.413 local terms energy: -23.388413 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: 0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -38.284916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.284916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.284916 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.110 Base-Backbone interact. energy: -0.002 local terms energy: -28.172619 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -2.662 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -34.248140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.248140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.248140 (E_RNA) where: Base-Base interactions energy: -10.472 where: short stacking energy: -9.510 Base-Backbone interact. energy: -0.133 local terms energy: -23.643116 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -1.452 tors. eta vs tors. theta energy: -0.891 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -34.753309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.753309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.753309 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.938 Base-Backbone interact. energy: 0.181 local terms energy: -24.996515 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -43.184163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.184163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.184163 (E_RNA) where: Base-Base interactions energy: -15.082 where: short stacking energy: -15.082 Base-Backbone interact. energy: -0.000 local terms energy: -28.102577 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -2.465 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: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -34.604471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.604471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.604471 (E_RNA) where: Base-Base interactions energy: -11.274 where: short stacking energy: -11.274 Base-Backbone interact. energy: -0.000 local terms energy: -23.330655 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -1.021 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: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -29.726903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.726903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.726903 (E_RNA) where: Base-Base interactions energy: -3.033 where: short stacking energy: -3.033 Base-Backbone interact. energy: -0.001 local terms energy: -26.692670 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -33.686208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.686208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.686208 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: -0.017 local terms energy: -23.381955 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -29.270570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.270570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.270570 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.249 local terms energy: -21.860477 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -34.376195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.376195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.376195 (E_RNA) where: Base-Base interactions energy: -8.754 where: short stacking energy: -8.549 Base-Backbone interact. energy: -0.003 local terms energy: -25.619556 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -39.094632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094632 (E_RNA) where: Base-Base interactions energy: -14.994 where: short stacking energy: -14.994 Base-Backbone interact. energy: -0.014 local terms energy: -24.086482 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -37.276131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.276131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.276131 (E_RNA) where: Base-Base interactions energy: -11.899 where: short stacking energy: -11.899 Base-Backbone interact. energy: -0.001 local terms energy: -25.376195 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -37.790001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.790001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.790001 (E_RNA) where: Base-Base interactions energy: -11.378 where: short stacking energy: -11.378 Base-Backbone interact. energy: -0.004 local terms energy: -26.408241 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -33.355998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.355998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.355998 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.049 local terms energy: -25.595464 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -3.336 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: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -39.227671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.227671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.227671 (E_RNA) where: Base-Base interactions energy: -11.528 where: short stacking energy: -11.528 Base-Backbone interact. energy: -0.035 local terms energy: -27.664309 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -29.350667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350667 (E_RNA) where: Base-Base interactions energy: -4.951 where: short stacking energy: -5.226 Base-Backbone interact. energy: -0.022 local terms energy: -24.377398 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.569 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: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -30.812539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.812539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.812539 (E_RNA) where: Base-Base interactions energy: -5.889 where: short stacking energy: -5.889 Base-Backbone interact. energy: -0.026 local terms energy: -24.896994 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -28.580289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.580289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.580289 (E_RNA) where: Base-Base interactions energy: -8.783 where: short stacking energy: -8.783 Base-Backbone interact. energy: -0.001 local terms energy: -19.795597 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -0.865 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -28.717018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.717018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.717018 (E_RNA) where: Base-Base interactions energy: -5.870 where: short stacking energy: -2.914 Base-Backbone interact. energy: -0.313 local terms energy: -22.534296 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: 1.609 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: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -28.350216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.350216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.350216 (E_RNA) where: Base-Base interactions energy: -9.569 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.018 local terms energy: -18.763310 where: bonds (distance) C4'-P energy: -1.964 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -0.920 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: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -42.621335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.621335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.621335 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.000 local terms energy: -28.827904 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -2.330 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: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -35.763430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.763430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.763430 (E_RNA) where: Base-Base interactions energy: -12.263 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.077 local terms energy: -23.422976 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -32.427338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.427338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.427338 (E_RNA) where: Base-Base interactions energy: -7.739 where: short stacking energy: -7.739 Base-Backbone interact. energy: -0.002 local terms energy: -24.686880 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -34.303881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.303881 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -9.798 Base-Backbone interact. energy: -0.061 local terms energy: -24.445046 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -34.348325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.348325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.348325 (E_RNA) where: Base-Base interactions energy: -11.712 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.094 local terms energy: -22.541641 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -34.906211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.906211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.906211 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.742 Base-Backbone interact. energy: -0.008 local terms energy: -25.155911 where: bonds (distance) C4'-P energy: -6.812 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -28.966967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.966967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.966967 (E_RNA) where: Base-Base interactions energy: -6.088 where: short stacking energy: -6.088 Base-Backbone interact. energy: -0.028 local terms energy: -22.850841 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: 0.127 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: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -27.731494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.731494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.731494 (E_RNA) where: Base-Base interactions energy: -3.908 where: short stacking energy: -3.908 Base-Backbone interact. energy: -0.020 local terms energy: -23.802895 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -29.372833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.372833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.372833 (E_RNA) where: Base-Base interactions energy: -6.747 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.098 local terms energy: -22.527898 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -0.081 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -30.288137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.288137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.288137 (E_RNA) where: Base-Base interactions energy: -6.756 where: short stacking energy: -6.756 Base-Backbone interact. energy: -0.000 local terms energy: -23.531998 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -1.802 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: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -33.612303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.612303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.612303 (E_RNA) where: Base-Base interactions energy: -8.838 where: short stacking energy: -8.838 Base-Backbone interact. energy: -0.006 local terms energy: -24.768141 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -39.692006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.692006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.692006 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.001 local terms energy: -26.707045 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.957 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: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -36.212864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212864 (E_RNA) where: Base-Base interactions energy: -8.394 where: short stacking energy: -8.394 Base-Backbone interact. energy: -0.292 local terms energy: -27.527475 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -33.797820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.797820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.797820 (E_RNA) where: Base-Base interactions energy: -11.556 where: short stacking energy: -11.556 Base-Backbone interact. energy: -0.017 local terms energy: -22.224748 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.341 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: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -36.147307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.147307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.147307 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.100 local terms energy: -25.286447 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -1.869 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: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -33.394002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.394002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.394002 (E_RNA) where: Base-Base interactions energy: -9.992 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.000 local terms energy: -23.401732 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -32.718084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718084 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.695 Base-Backbone interact. energy: -0.003 local terms energy: -28.019788 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -31.740297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.740297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.740297 (E_RNA) where: Base-Base interactions energy: -12.815 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.002 local terms energy: -18.923757 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -4.122 flat angles C4'-P-C4' energy: -1.934 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -30.093929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.093929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.093929 (E_RNA) where: Base-Base interactions energy: -5.065 where: short stacking energy: -5.065 Base-Backbone interact. energy: -0.024 local terms energy: -25.005454 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -3.858 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: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -27.981709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.981709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.981709 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.003 local terms energy: -23.553556 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -1.723 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: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -37.848041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.848041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.848041 (E_RNA) where: Base-Base interactions energy: -12.198 where: short stacking energy: -12.198 Base-Backbone interact. energy: -0.234 local terms energy: -25.415889 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: 0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -38.956900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.956900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.956900 (E_RNA) where: Base-Base interactions energy: -12.016 where: short stacking energy: -12.016 Base-Backbone interact. energy: -0.100 local terms energy: -26.840895 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -3.566 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -42.013588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.013588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.013588 (E_RNA) where: Base-Base interactions energy: -13.305 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.000 local terms energy: -28.708184 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -30.975812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.975812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.975812 (E_RNA) where: Base-Base interactions energy: -9.264 where: short stacking energy: -9.264 Base-Backbone interact. energy: -0.011 local terms energy: -21.700475 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -2.536 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -34.960385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.960385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.960385 (E_RNA) where: Base-Base interactions energy: -11.028 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.004 local terms energy: -23.927909 where: bonds (distance) C4'-P energy: -5.669 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -2.701 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -29.973963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.973963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.973963 (E_RNA) where: Base-Base interactions energy: -4.122 where: short stacking energy: -4.122 Base-Backbone interact. energy: -0.042 local terms energy: -25.809836 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -28.889495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.889495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.889495 (E_RNA) where: Base-Base interactions energy: -6.866 where: short stacking energy: -6.866 Base-Backbone interact. energy: -0.132 local terms energy: -21.891339 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -1.168 tors. eta vs tors. theta energy: -1.551 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: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -27.334775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334775 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.048 local terms energy: -20.958342 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -3.179 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -29.138343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138343 (E_RNA) where: Base-Base interactions energy: -5.300 where: short stacking energy: -5.300 Base-Backbone interact. energy: -0.087 local terms energy: -23.750931 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.404 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -3.882 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -29.302806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.302806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.302806 (E_RNA) where: Base-Base interactions energy: -5.660 where: short stacking energy: -5.660 Base-Backbone interact. energy: -0.024 local terms energy: -23.619047 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -42.524462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.524462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.524462 (E_RNA) where: Base-Base interactions energy: -14.946 where: short stacking energy: -14.946 Base-Backbone interact. energy: -0.092 local terms energy: -27.487205 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -35.499921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.499921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.499921 (E_RNA) where: Base-Base interactions energy: -8.228 where: short stacking energy: -8.228 Base-Backbone interact. energy: -0.071 local terms energy: -27.200793 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -36.377157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.377157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.377157 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.010 local terms energy: -25.754384 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -35.773879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.773879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.773879 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.195 local terms energy: -24.472682 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -33.467979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.467979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.467979 (E_RNA) where: Base-Base interactions energy: -11.734 where: short stacking energy: -9.095 Base-Backbone interact. energy: -0.000 local terms energy: -21.733615 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -28.157207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157207 (E_RNA) where: Base-Base interactions energy: -3.225 where: short stacking energy: -3.225 Base-Backbone interact. energy: -0.080 local terms energy: -24.851524 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -26.869658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.869658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.869658 (E_RNA) where: Base-Base interactions energy: -3.222 where: short stacking energy: -3.222 Base-Backbone interact. energy: -0.017 local terms energy: -23.630159 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -31.873704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.873704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.873704 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.204 local terms energy: -22.928091 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -5.030 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: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -30.849417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.849417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.849417 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: 1.196 local terms energy: -24.991820 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -0.563 tors. eta vs tors. theta energy: -5.601 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: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -33.877500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.877500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.877500 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.002 local terms energy: -23.457373 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -3.109 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: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -45.075771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.075771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.075771 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.072 local terms energy: -29.289874 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -5.158 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: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -38.190383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.190383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.190383 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.101 local terms energy: -29.388622 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -33.232655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.232655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.232655 (E_RNA) where: Base-Base interactions energy: -9.867 where: short stacking energy: -9.867 Base-Backbone interact. energy: -0.001 local terms energy: -23.365040 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -0.690 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: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -37.662792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.662792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.662792 (E_RNA) where: Base-Base interactions energy: -12.559 where: short stacking energy: -12.559 Base-Backbone interact. energy: -0.107 local terms energy: -24.996718 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -1.200 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: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -30.152163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.152163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.152163 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.001 local terms energy: -22.997380 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -33.677157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.677157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.677157 (E_RNA) where: Base-Base interactions energy: -9.303 where: short stacking energy: -9.303 Base-Backbone interact. energy: -0.000 local terms energy: -24.373950 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -1.908 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: 121 Temperature: 1.200000 Total energy: -31.914779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914779 (E_RNA) where: Base-Base interactions energy: -8.329 where: short stacking energy: -8.329 Base-Backbone interact. energy: -0.002 local terms energy: -23.583852 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -0.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -32.052208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.052208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.052208 (E_RNA) where: Base-Base interactions energy: -7.449 where: short stacking energy: -7.449 Base-Backbone interact. energy: -0.059 local terms energy: -24.544657 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: 0.436 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: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -29.462344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.462344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.462344 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.001 local terms energy: -21.827442 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -0.738 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: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -30.032127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.032127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.032127 (E_RNA) where: Base-Base interactions energy: -6.632 where: short stacking energy: -6.399 Base-Backbone interact. energy: -0.000 local terms energy: -23.399818 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: 0.071 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: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -35.684110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684110 (E_RNA) where: Base-Base interactions energy: -10.663 where: short stacking energy: -10.663 Base-Backbone interact. energy: -0.000 local terms energy: -25.021056 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.374 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: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -33.202524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.202524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.202524 (E_RNA) where: Base-Base interactions energy: -6.099 where: short stacking energy: -6.099 Base-Backbone interact. energy: -0.124 local terms energy: -26.979054 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -4.071 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: 122 Temperature: 1.000000 Total energy: -34.299713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.299713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.299713 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.080 local terms energy: -26.561090 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -1.506 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: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -33.042425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042425 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.000 local terms energy: -22.841764 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -1.043 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -34.877678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.877678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.877678 (E_RNA) where: Base-Base interactions energy: -10.625 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.018 local terms energy: -24.234684 where: bonds (distance) C4'-P energy: -3.988 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -34.656695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.656695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.656695 (E_RNA) where: Base-Base interactions energy: -9.731 where: short stacking energy: -9.731 Base-Backbone interact. energy: -0.058 local terms energy: -24.867764 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -30.797845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.797845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.797845 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.075 local terms energy: -24.194036 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: 0.014 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: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -30.761223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.761223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.761223 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -6.630 Base-Backbone interact. energy: -0.318 local terms energy: -23.296288 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -6.565 flat angles C4'-P-C4' energy: -2.797 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -30.452341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.452341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.452341 (E_RNA) where: Base-Base interactions energy: -8.691 where: short stacking energy: -8.691 Base-Backbone interact. energy: -0.058 local terms energy: -21.703704 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.196 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: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -26.253367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.253367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.253367 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: 0.264 local terms energy: -20.100128 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -5.053 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -0.019 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: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -42.198281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.198281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.198281 (E_RNA) where: Base-Base interactions energy: -16.559 where: short stacking energy: -16.559 Base-Backbone interact. energy: -0.000 local terms energy: -25.639114 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -3.808 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: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -34.114871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.114871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.114871 (E_RNA) where: Base-Base interactions energy: -7.112 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.000 local terms energy: -27.002702 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -2.274 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: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -38.901647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.901647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.901647 (E_RNA) where: Base-Base interactions energy: -12.891 where: short stacking energy: -12.891 Base-Backbone interact. energy: -0.037 local terms energy: -25.973577 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -34.116551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.116551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.116551 (E_RNA) where: Base-Base interactions energy: -9.516 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.001 local terms energy: -24.599551 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -34.372992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.372992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.372992 (E_RNA) where: Base-Base interactions energy: -11.228 where: short stacking energy: -11.228 Base-Backbone interact. energy: -0.143 local terms energy: -23.001444 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -5.425 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -33.343982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.343982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.343982 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.031 local terms energy: -23.454871 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -31.869578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.869578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.869578 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -9.655 Base-Backbone interact. energy: -0.063 local terms energy: -22.151377 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.893 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -29.922227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.922227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.922227 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.000 local terms energy: -20.989202 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -4.716 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -2.174 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: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -32.007543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.007543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.007543 (E_RNA) where: Base-Base interactions energy: -10.124 where: short stacking energy: -10.124 Base-Backbone interact. energy: -0.101 local terms energy: -21.781723 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -30.439155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.439155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.439155 (E_RNA) where: Base-Base interactions energy: -11.186 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.066 local terms energy: -19.187332 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -0.109 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: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -45.589060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.589060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.589060 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -12.761 Base-Backbone interact. energy: -0.000 local terms energy: -32.828409 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -6.928 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: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -36.045718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.045718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.045718 (E_RNA) where: Base-Base interactions energy: -9.049 where: short stacking energy: -9.049 Base-Backbone interact. energy: -0.101 local terms energy: -26.895445 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -35.572698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.572698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.572698 (E_RNA) where: Base-Base interactions energy: -9.049 where: short stacking energy: -9.049 Base-Backbone interact. energy: -0.010 local terms energy: -26.513926 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -0.960 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -37.640158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.640158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.640158 (E_RNA) where: Base-Base interactions energy: -11.554 where: short stacking energy: -11.554 Base-Backbone interact. energy: -0.090 local terms energy: -25.996220 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -1.918 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: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -29.368313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.368313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.368313 (E_RNA) where: Base-Base interactions energy: -4.840 where: short stacking energy: -4.840 Base-Backbone interact. energy: -0.098 local terms energy: -24.430483 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -29.160495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.160495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.160495 (E_RNA) where: Base-Base interactions energy: -3.733 where: short stacking energy: -3.733 Base-Backbone interact. energy: -0.145 local terms energy: -25.282531 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.958 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -29.919517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919517 (E_RNA) where: Base-Base interactions energy: -9.097 where: short stacking energy: -9.097 Base-Backbone interact. energy: -0.018 local terms energy: -20.804548 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: 0.120 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: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -31.230164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.230164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.230164 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.001 local terms energy: -21.378281 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -2.619 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: 8 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -30.097230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.097230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.097230 (E_RNA) where: Base-Base interactions energy: -7.695 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.114 local terms energy: -22.288633 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -34.827385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.827385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.827385 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.010 local terms energy: -28.510280 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -34.752089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.752089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.752089 (E_RNA) where: Base-Base interactions energy: -11.397 where: short stacking energy: -8.403 Base-Backbone interact. energy: -0.270 local terms energy: -23.084286 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: 1.030 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: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -40.098006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.098006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.098006 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.008 local terms energy: -28.241471 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -4.082 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: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -40.386798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.386798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.386798 (E_RNA) where: Base-Base interactions energy: -12.246 where: short stacking energy: -12.246 Base-Backbone interact. energy: -0.015 local terms energy: -28.126612 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -4.151 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: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -37.047822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.047822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.047822 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -11.602 Base-Backbone interact. energy: -0.001 local terms energy: -25.444579 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -40.813448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.813448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.813448 (E_RNA) where: Base-Base interactions energy: -14.002 where: short stacking energy: -14.002 Base-Backbone interact. energy: -0.032 local terms energy: -26.779581 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -5.849 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -33.951686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.951686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.951686 (E_RNA) where: Base-Base interactions energy: -6.925 where: short stacking energy: -6.925 Base-Backbone interact. energy: -0.091 local terms energy: -26.935685 where: bonds (distance) C4'-P energy: -5.069 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -3.509 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: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -36.483438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.483438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.483438 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.021 local terms energy: -26.964621 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.944 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: 125 Temperature: 1.250000 Total energy: -29.687602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.687602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.687602 (E_RNA) where: Base-Base interactions energy: -5.067 where: short stacking energy: -5.067 Base-Backbone interact. energy: -0.050 local terms energy: -24.571334 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -1.960 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: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -29.814697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814697 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: -4.811 Base-Backbone interact. energy: -1.170 local terms energy: -23.125270 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -4.997 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -0.641 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: 125 Temperature: 1.350000 Total energy: -27.954734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.954734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.954734 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.042 local terms energy: -23.395012 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -5.385 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -2.435 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: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -39.061619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061619 (E_RNA) where: Base-Base interactions energy: -13.878 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.002 local terms energy: -25.181521 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -2.938 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -42.910734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.910734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.910734 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.016 local terms energy: -27.783099 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -36.690829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.690829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.690829 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.282 Base-Backbone interact. energy: -0.030 local terms energy: -24.379183 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -33.292446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.292446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.292446 (E_RNA) where: Base-Base interactions energy: -7.200 where: short stacking energy: -7.200 Base-Backbone interact. energy: -0.091 local terms energy: -26.001567 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -36.378810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.378810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.378810 (E_RNA) where: Base-Base interactions energy: -11.850 where: short stacking energy: -11.850 Base-Backbone interact. energy: -0.000 local terms energy: -24.528906 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -34.333298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.333298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.333298 (E_RNA) where: Base-Base interactions energy: -12.481 where: short stacking energy: -12.481 Base-Backbone interact. energy: -0.066 local terms energy: -21.786469 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -2.204 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -32.156023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.156023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.156023 (E_RNA) where: Base-Base interactions energy: -7.001 where: short stacking energy: -7.001 Base-Backbone interact. energy: -0.008 local terms energy: -25.147089 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -26.655635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.655635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.655635 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.001 local terms energy: -19.925126 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -2.747 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: 1.901 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: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -29.783309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.783309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.783309 (E_RNA) where: Base-Base interactions energy: -5.278 where: short stacking energy: -5.278 Base-Backbone interact. energy: -0.099 local terms energy: -24.405994 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -1.782 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: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -27.440101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.440101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.440101 (E_RNA) where: Base-Base interactions energy: -5.243 where: short stacking energy: -5.431 Base-Backbone interact. energy: -0.018 local terms energy: -22.178591 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.156 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: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -32.847512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.847512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.847512 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.073 local terms energy: -25.523835 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -34.996935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.996935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.996935 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.000 local terms energy: -26.524403 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: 0.411 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -39.172881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.172881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.172881 (E_RNA) where: Base-Base interactions energy: -9.975 where: short stacking energy: -9.975 Base-Backbone interact. energy: -0.000 local terms energy: -29.197729 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -5.040 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: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -36.625369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.625369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.625369 (E_RNA) where: Base-Base interactions energy: -11.596 where: short stacking energy: -11.596 Base-Backbone interact. energy: -0.000 local terms energy: -25.028844 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -5.289 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -30.831500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.831500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.831500 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.005 local terms energy: -21.342511 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -0.780 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: 8 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -39.190225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.190225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.190225 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.010 local terms energy: -25.425225 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -28.120179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.120179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.120179 (E_RNA) where: Base-Base interactions energy: -2.973 where: short stacking energy: -2.973 Base-Backbone interact. energy: -0.001 local terms energy: -25.146065 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -30.610968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.610968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.610968 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -10.178 Base-Backbone interact. energy: -0.046 local terms energy: -20.387605 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -2.682 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: 127 Temperature: 1.300000 Total energy: -30.285668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.285668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.285668 (E_RNA) where: Base-Base interactions energy: -4.256 where: short stacking energy: -2.508 Base-Backbone interact. energy: -0.017 local terms energy: -26.012161 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -4.848 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: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -28.858962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.858962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.858962 (E_RNA) where: Base-Base interactions energy: -4.391 where: short stacking energy: -4.391 Base-Backbone interact. energy: -0.011 local terms energy: -24.457169 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -38.810095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.810095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.810095 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.000 local terms energy: -26.766420 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -4.154 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: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -38.690534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.690534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.690534 (E_RNA) where: Base-Base interactions energy: -8.558 where: short stacking energy: -8.558 Base-Backbone interact. energy: -0.000 local terms energy: -30.132927 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -4.546 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: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -37.998533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.998533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.998533 (E_RNA) where: Base-Base interactions energy: -14.007 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.038 local terms energy: -23.953885 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -4.108 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: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -35.687796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.687796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.687796 (E_RNA) where: Base-Base interactions energy: -9.249 where: short stacking energy: -9.249 Base-Backbone interact. energy: 0.120 local terms energy: -26.559433 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -30.559979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.559979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.559979 (E_RNA) where: Base-Base interactions energy: -10.570 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.093 local terms energy: -19.896147 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -4.123 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -31.550610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.550610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.550610 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -6.326 Base-Backbone interact. energy: -0.001 local terms energy: -21.350124 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -1.951 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: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -33.555907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.555907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.555907 (E_RNA) where: Base-Base interactions energy: -8.860 where: short stacking energy: -8.860 Base-Backbone interact. energy: -0.002 local terms energy: -24.694423 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -29.082372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.082372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.082372 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -7.065 Base-Backbone interact. energy: -0.077 local terms energy: -20.731106 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -33.897487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.897487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.897487 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.032 local terms energy: -27.116541 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -3.489 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: 10, replica: 6 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -31.082920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.082920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.082920 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.197 local terms energy: -20.593046 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: 3.832 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: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -41.650016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.650016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.650016 (E_RNA) where: Base-Base interactions energy: -11.977 where: short stacking energy: -11.977 Base-Backbone interact. energy: -0.000 local terms energy: -29.672319 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -3.014 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: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -38.461088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.461088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.461088 (E_RNA) where: Base-Base interactions energy: -11.406 where: short stacking energy: -11.268 Base-Backbone interact. energy: 0.166 local terms energy: -27.221065 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -4.960 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: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -38.190123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.190123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.190123 (E_RNA) where: Base-Base interactions energy: -12.973 where: short stacking energy: -12.973 Base-Backbone interact. energy: -0.072 local terms energy: -25.144522 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -2.604 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -30.979371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.979371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.979371 (E_RNA) where: Base-Base interactions energy: -5.212 where: short stacking energy: -5.512 Base-Backbone interact. energy: -0.184 local terms energy: -25.583191 where: bonds (distance) C4'-P energy: -5.147 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -34.935508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.935508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.935508 (E_RNA) where: Base-Base interactions energy: -8.154 where: short stacking energy: -8.154 Base-Backbone interact. energy: -0.002 local terms energy: -26.779377 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -39.362585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.362585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.362585 (E_RNA) where: Base-Base interactions energy: -12.174 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.000 local terms energy: -27.188184 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -4.695 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: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -30.400950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.400950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.400950 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.001 local terms energy: -21.646972 where: bonds (distance) C4'-P energy: -1.765 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -29.908516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.908516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.908516 (E_RNA) where: Base-Base interactions energy: -2.694 where: short stacking energy: -2.694 Base-Backbone interact. energy: -0.080 local terms energy: -27.134869 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -29.142141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.142141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.142141 (E_RNA) where: Base-Base interactions energy: -5.851 where: short stacking energy: -5.851 Base-Backbone interact. energy: -0.000 local terms energy: -23.291195 where: bonds (distance) C4'-P energy: -4.672 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -2.301 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: 6 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -30.498435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.498435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.498435 (E_RNA) where: Base-Base interactions energy: -7.600 where: short stacking energy: -7.600 Base-Backbone interact. energy: -0.010 local terms energy: -22.889288 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -3.872 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: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -43.159798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.159798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.159798 (E_RNA) where: Base-Base interactions energy: -14.105 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.000 local terms energy: -29.054839 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -39.452642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.452642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.452642 (E_RNA) where: Base-Base interactions energy: -10.607 where: short stacking energy: -10.607 Base-Backbone interact. energy: -1.021 local terms energy: -27.824117 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -2.547 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: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -34.473136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.473136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.473136 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.000 local terms energy: -26.537081 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -5.661 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: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -34.820632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.820632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.820632 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.009 local terms energy: -24.553704 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -2.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -33.786674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.786674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.786674 (E_RNA) where: Base-Base interactions energy: -11.347 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.019 local terms energy: -22.420668 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: 0.018 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -29.215937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.215937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.215937 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.165 local terms energy: -21.625044 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -0.486 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: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -31.773074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.773074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.773074 (E_RNA) where: Base-Base interactions energy: -8.750 where: short stacking energy: -8.750 Base-Backbone interact. energy: -0.000 local terms energy: -23.022756 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -32.385937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385937 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.223 local terms energy: -25.494237 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -32.836223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.836223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.836223 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.020 local terms energy: -25.056951 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -2.288 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -3.416 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: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -29.251310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.251310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.251310 (E_RNA) where: Base-Base interactions energy: -6.142 where: short stacking energy: -6.142 Base-Backbone interact. energy: -0.775 local terms energy: -22.334594 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: 1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -39.607674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.607674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.607674 (E_RNA) where: Base-Base interactions energy: -13.157 where: short stacking energy: -13.157 Base-Backbone interact. energy: -0.099 local terms energy: -26.352432 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -39.449895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.449895 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.000 local terms energy: -28.834212 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -32.385972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.385972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.385972 (E_RNA) where: Base-Base interactions energy: -8.534 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.061 local terms energy: -23.790844 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -36.212048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.212048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.212048 (E_RNA) where: Base-Base interactions energy: -12.252 where: short stacking energy: -12.252 Base-Backbone interact. energy: -0.000 local terms energy: -23.959872 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -35.648847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.648847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.648847 (E_RNA) where: Base-Base interactions energy: -13.073 where: short stacking energy: -13.073 Base-Backbone interact. energy: -0.631 local terms energy: -21.944576 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -31.336517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336517 (E_RNA) where: Base-Base interactions energy: -5.882 where: short stacking energy: -5.882 Base-Backbone interact. energy: -0.017 local terms energy: -25.438219 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -30.552338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.552338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.552338 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.063 local terms energy: -23.558839 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -30.186752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186752 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -7.023 Base-Backbone interact. energy: 0.091 local terms energy: -23.254782 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -0.233 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: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -29.615513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.615513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.615513 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.002 local terms energy: -20.634758 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.703 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -2.200 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: 10, replica: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -34.160963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.160963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.160963 (E_RNA) where: Base-Base interactions energy: -11.861 where: short stacking energy: -11.861 Base-Backbone interact. energy: -0.000 local terms energy: -22.300116 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -2.063 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: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -38.827054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.827054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.827054 (E_RNA) where: Base-Base interactions energy: -14.507 where: short stacking energy: -14.507 Base-Backbone interact. energy: -0.145 local terms energy: -24.174132 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -36.309354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.309354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.309354 (E_RNA) where: Base-Base interactions energy: -12.209 where: short stacking energy: -12.209 Base-Backbone interact. energy: -0.002 local terms energy: -24.098955 where: bonds (distance) C4'-P energy: -3.269 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -2.059 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -38.522725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522725 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.000 local terms energy: -25.998064 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.507 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: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -40.839628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.839628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.839628 (E_RNA) where: Base-Base interactions energy: -14.280 where: short stacking energy: -14.280 Base-Backbone interact. energy: -0.000 local terms energy: -26.560002 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -5.848 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -34.573097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.573097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.573097 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.000 local terms energy: -26.231182 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -30.873835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.873835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.873835 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -6.412 Base-Backbone interact. energy: -0.091 local terms energy: -24.371190 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -1.737 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -29.032789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032789 (E_RNA) where: Base-Base interactions energy: -6.826 where: short stacking energy: -6.826 Base-Backbone interact. energy: -0.102 local terms energy: -22.104832 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: 2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -28.107688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.107688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.107688 (E_RNA) where: Base-Base interactions energy: -4.907 where: short stacking energy: -4.907 Base-Backbone interact. energy: -0.006 local terms energy: -23.194138 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -3.321 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: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -31.818269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.818269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.818269 (E_RNA) where: Base-Base interactions energy: -7.752 where: short stacking energy: -7.752 Base-Backbone interact. energy: -0.000 local terms energy: -24.066139 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.858 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: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -28.059172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.059172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.059172 (E_RNA) where: Base-Base interactions energy: -4.791 where: short stacking energy: -4.791 Base-Backbone interact. energy: 0.559 local terms energy: -23.826499 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -39.136107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.136107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.136107 (E_RNA) where: Base-Base interactions energy: -12.333 where: short stacking energy: -12.491 Base-Backbone interact. energy: -1.185 local terms energy: -25.618194 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -33.448843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.448843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.448843 (E_RNA) where: Base-Base interactions energy: -8.384 where: short stacking energy: -7.011 Base-Backbone interact. energy: -0.072 local terms energy: -24.992424 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: 0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -32.918097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918097 (E_RNA) where: Base-Base interactions energy: -8.823 where: short stacking energy: -8.823 Base-Backbone interact. energy: -0.000 local terms energy: -24.095252 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.005 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -38.606393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.606393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.606393 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.761 Base-Backbone interact. energy: -0.039 local terms energy: -24.868203 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -39.896629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.896629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.896629 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.061 local terms energy: -29.766225 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -4.453 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: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -34.375609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.375609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.375609 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -9.075 Base-Backbone interact. energy: -0.164 local terms energy: -23.084518 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -27.346827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.346827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.346827 (E_RNA) where: Base-Base interactions energy: -3.671 where: short stacking energy: -3.261 Base-Backbone interact. energy: -0.224 local terms energy: -23.452123 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -0.425 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: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -32.686329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.686329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.686329 (E_RNA) where: Base-Base interactions energy: -5.577 where: short stacking energy: -5.577 Base-Backbone interact. energy: -0.000 local terms energy: -27.108938 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -3.946 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: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -28.105750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105750 (E_RNA) where: Base-Base interactions energy: -2.485 where: short stacking energy: -2.485 Base-Backbone interact. energy: -0.179 local terms energy: -25.441768 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -32.455349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.455349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.455349 (E_RNA) where: Base-Base interactions energy: -10.416 where: short stacking energy: -10.416 Base-Backbone interact. energy: -0.016 local terms energy: -22.023423 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.219 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -2.451 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: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -41.143383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.143383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.143383 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.001 local terms energy: -29.739652 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -40.560557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.560557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.560557 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -0.003 local terms energy: -27.751763 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -35.954169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.954169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.954169 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.026 local terms energy: -24.485875 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -1.329 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: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -35.714405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.714405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.714405 (E_RNA) where: Base-Base interactions energy: -12.240 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.000 local terms energy: -23.474874 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -1.686 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -36.355716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.355716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.355716 (E_RNA) where: Base-Base interactions energy: -12.361 where: short stacking energy: -12.361 Base-Backbone interact. energy: 0.227 local terms energy: -24.222222 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -1.211 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: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -32.607642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.607642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.607642 (E_RNA) where: Base-Base interactions energy: -8.504 where: short stacking energy: -8.504 Base-Backbone interact. energy: -0.000 local terms energy: -24.103379 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -29.030169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.030169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.030169 (E_RNA) where: Base-Base interactions energy: -3.409 where: short stacking energy: -3.409 Base-Backbone interact. energy: -0.093 local terms energy: -25.527454 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -29.817649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.817649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.817649 (E_RNA) where: Base-Base interactions energy: -9.968 where: short stacking energy: -9.968 Base-Backbone interact. energy: -0.027 local terms energy: -19.823092 where: bonds (distance) C4'-P energy: -2.860 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -27.050158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.050158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.050158 (E_RNA) where: Base-Base interactions energy: -4.113 where: short stacking energy: -3.565 Base-Backbone interact. energy: -0.031 local terms energy: -22.905891 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -32.535189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.535189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.535189 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.001 local terms energy: -21.226213 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.615 tors. eta vs tors. theta energy: 0.082 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: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -44.076644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.076644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.076644 (E_RNA) where: Base-Base interactions energy: -15.122 where: short stacking energy: -15.122 Base-Backbone interact. energy: -0.007 local terms energy: -28.947384 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -44.487060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.487060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.487060 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.000 local terms energy: -29.386644 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -42.791616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.791616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.791616 (E_RNA) where: Base-Base interactions energy: -13.670 where: short stacking energy: -13.670 Base-Backbone interact. energy: -0.398 local terms energy: -28.723709 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -31.790255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.790255 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.040 local terms energy: -20.134925 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -32.389099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.389099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.389099 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -7.140 Base-Backbone interact. energy: -0.012 local terms energy: -22.535534 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: 0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -35.662377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.662377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.662377 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.005 local terms energy: -24.948453 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -1.597 tors. eta vs tors. theta energy: -3.756 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: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -30.664573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.664573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.664573 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.106 local terms energy: -23.175684 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: 0.501 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: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -31.954582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.954582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.954582 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: -5.957 Base-Backbone interact. energy: -0.089 local terms energy: -25.909521 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -0.957 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: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -33.670403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.670403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.670403 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.000 local terms energy: -24.171848 where: bonds (distance) C4'-P energy: -3.769 bonds (distance) P-C4' energy: -3.881 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -29.327901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.327901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.327901 (E_RNA) where: Base-Base interactions energy: -7.500 where: short stacking energy: -7.500 Base-Backbone interact. energy: -0.140 local terms energy: -21.687458 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: 1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -37.275674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.275674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.275674 (E_RNA) where: Base-Base interactions energy: -9.464 where: short stacking energy: -9.464 Base-Backbone interact. energy: -0.008 local terms energy: -27.803648 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: 0.971 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: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -43.286543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.286543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.286543 (E_RNA) where: Base-Base interactions energy: -15.056 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.000 local terms energy: -28.230018 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -3.442 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -33.086649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.086649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.086649 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.003 local terms energy: -22.056094 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -33.543727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.543727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.543727 (E_RNA) where: Base-Base interactions energy: -10.373 where: short stacking energy: -10.373 Base-Backbone interact. energy: -0.098 local terms energy: -23.072588 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -34.857688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857688 (E_RNA) where: Base-Base interactions energy: -8.105 where: short stacking energy: -8.105 Base-Backbone interact. energy: -0.001 local terms energy: -26.751663 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -32.533586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.533586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.533586 (E_RNA) where: Base-Base interactions energy: -10.448 where: short stacking energy: -10.448 Base-Backbone interact. energy: -0.045 local terms energy: -22.040199 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -4.003 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: 0.259 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: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -28.852302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.852302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.852302 (E_RNA) where: Base-Base interactions energy: -5.337 where: short stacking energy: -5.337 Base-Backbone interact. energy: -0.206 local terms energy: -23.309502 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.293 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -31.005083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.005083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.005083 (E_RNA) where: Base-Base interactions energy: -8.945 where: short stacking energy: -9.127 Base-Backbone interact. energy: -0.861 local terms energy: -21.199222 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -2.115 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: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -28.704552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.704552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.704552 (E_RNA) where: Base-Base interactions energy: -5.666 where: short stacking energy: -5.666 Base-Backbone interact. energy: -0.371 local terms energy: -22.667600 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -27.757970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.757970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.757970 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.107 local terms energy: -16.840970 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -1.374 tors. eta vs tors. theta energy: -0.308 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: 137 Temperature: 0.900000 Total energy: -39.379196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.379196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.379196 (E_RNA) where: Base-Base interactions energy: -11.564 where: short stacking energy: -11.564 Base-Backbone interact. energy: -0.060 local terms energy: -27.755927 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -38.291797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.291797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.291797 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.000 local terms energy: -28.287344 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -32.939169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939169 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -2.339 Base-Backbone interact. energy: -0.303 local terms energy: -25.137817 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -31.996542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.996542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.996542 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.026 local terms energy: -25.140824 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -2.430 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: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -33.625944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.625944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.625944 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.122 local terms energy: -25.693645 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -30.987710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.987710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.987710 (E_RNA) where: Base-Base interactions energy: -5.795 where: short stacking energy: -5.795 Base-Backbone interact. energy: -0.100 local terms energy: -25.093298 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -32.501646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.501646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.501646 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.012 local terms energy: -24.147331 where: bonds (distance) C4'-P energy: -1.745 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -27.805010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.805010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.805010 (E_RNA) where: Base-Base interactions energy: -5.683 where: short stacking energy: -5.683 Base-Backbone interact. energy: -0.002 local terms energy: -22.119628 where: bonds (distance) C4'-P energy: -4.486 bonds (distance) P-C4' energy: -5.162 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -1.221 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: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -29.343072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.343072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.343072 (E_RNA) where: Base-Base interactions energy: -6.626 where: short stacking energy: -6.626 Base-Backbone interact. energy: -0.187 local terms energy: -22.530069 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -32.040578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.040578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.040578 (E_RNA) where: Base-Base interactions energy: -10.853 where: short stacking energy: -10.853 Base-Backbone interact. energy: -0.001 local terms energy: -21.186056 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -1.704 tors. eta vs tors. theta energy: -1.401 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: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -41.348648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.348648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.348648 (E_RNA) where: Base-Base interactions energy: -14.321 where: short stacking energy: -14.321 Base-Backbone interact. energy: -0.003 local terms energy: -27.024333 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -39.798765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.798765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.798765 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.067 local terms energy: -27.084502 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.515 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: 3, replica: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -34.440974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.440974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.440974 (E_RNA) where: Base-Base interactions energy: -10.078 where: short stacking energy: -10.078 Base-Backbone interact. energy: -0.016 local terms energy: -24.346773 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -36.792998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.792998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.792998 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: 0.986 local terms energy: -26.845404 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -34.369203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.369203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.369203 (E_RNA) where: Base-Base interactions energy: -12.756 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.072 local terms energy: -21.541251 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: 0.416 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: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -32.179465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.179465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.179465 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.000 local terms energy: -23.481891 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -2.156 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -30.726113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.726113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.726113 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: 1.241 local terms energy: -25.616646 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -29.446911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.446911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.446911 (E_RNA) where: Base-Base interactions energy: -8.263 where: short stacking energy: -5.106 Base-Backbone interact. energy: -0.072 local terms energy: -21.112306 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: 0.033 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -35.749944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.749944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.749944 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.036 local terms energy: -23.279665 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -28.989915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.989915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.989915 (E_RNA) where: Base-Base interactions energy: -1.898 where: short stacking energy: -1.898 Base-Backbone interact. energy: -0.132 local terms energy: -26.960211 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -38.592813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.592813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.592813 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.000 local terms energy: -27.711022 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -34.404802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.404802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.404802 (E_RNA) where: Base-Base interactions energy: -6.837 where: short stacking energy: -6.837 Base-Backbone interact. energy: -0.083 local terms energy: -27.484601 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.103 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: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -40.513542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.513542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.513542 (E_RNA) where: Base-Base interactions energy: -13.916 where: short stacking energy: -13.916 Base-Backbone interact. energy: -0.000 local terms energy: -26.597619 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.917 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -37.026997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.026997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.026997 (E_RNA) where: Base-Base interactions energy: -10.735 where: short stacking energy: -10.735 Base-Backbone interact. energy: -0.021 local terms energy: -26.270726 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.842 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: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -36.226500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.226500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.226500 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -10.820 Base-Backbone interact. energy: -0.059 local terms energy: -25.347666 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -1.064 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: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -30.272635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.272635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.272635 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.004 local terms energy: -23.349914 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -33.868148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.868148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.868148 (E_RNA) where: Base-Base interactions energy: -10.628 where: short stacking energy: -10.628 Base-Backbone interact. energy: -0.000 local terms energy: -23.239980 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -26.635837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.635837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.635837 (E_RNA) where: Base-Base interactions energy: -3.878 where: short stacking energy: -3.878 Base-Backbone interact. energy: -0.096 local terms energy: -22.662052 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 0.601 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: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -30.044042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.044042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.044042 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.027 local terms energy: -22.863565 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.261 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -28.191830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.191830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.191830 (E_RNA) where: Base-Base interactions energy: -2.157 where: short stacking energy: -2.157 Base-Backbone interact. energy: -0.000 local terms energy: -26.035050 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.687 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -5.239 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -42.139279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.139279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.139279 (E_RNA) where: Base-Base interactions energy: -14.466 where: short stacking energy: -14.466 Base-Backbone interact. energy: -0.028 local terms energy: -27.644903 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -39.350886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.350886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.350886 (E_RNA) where: Base-Base interactions energy: -11.578 where: short stacking energy: -11.578 Base-Backbone interact. energy: -0.016 local terms energy: -27.756953 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -40.112327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.112327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.112327 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.000 local terms energy: -27.803573 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -35.060129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.060129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.060129 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.009 local terms energy: -22.817308 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -1.999 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: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -32.079946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.079946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.079946 (E_RNA) where: Base-Base interactions energy: -3.722 where: short stacking energy: -3.722 Base-Backbone interact. energy: -0.100 local terms energy: -28.258265 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -4.077 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: 140 Temperature: 1.150000 Total energy: -32.633966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633966 (E_RNA) where: Base-Base interactions energy: -5.220 where: short stacking energy: -5.220 Base-Backbone interact. energy: -0.000 local terms energy: -27.414071 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -4.204 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: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -29.272134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272134 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.238 local terms energy: -18.686462 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: 2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -27.983651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.983651 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.695 Base-Backbone interact. energy: -0.004 local terms energy: -23.284541 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -0.596 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: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -30.941766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.941766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.941766 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -4.022 Base-Backbone interact. energy: -0.083 local terms energy: -24.012380 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -1.716 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: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -29.927515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.927515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.927515 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.066 local terms energy: -21.657018 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: 0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -35.668444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.668444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.668444 (E_RNA) where: Base-Base interactions energy: -10.879 where: short stacking energy: -10.879 Base-Backbone interact. energy: -0.676 local terms energy: -24.113666 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -32.841547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.841547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.841547 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.011 local terms energy: -25.248226 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.294 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -39.624524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.624524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.624524 (E_RNA) where: Base-Base interactions energy: -10.052 where: short stacking energy: -8.962 Base-Backbone interact. energy: -0.000 local terms energy: -29.572811 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -30.230648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230648 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.039 local terms energy: -22.448587 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -31.339292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339292 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.015 local terms energy: -23.665299 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -30.120345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.120345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.120345 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.000 local terms energy: -22.867573 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -2.838 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: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -32.017073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.017073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.017073 (E_RNA) where: Base-Base interactions energy: -5.994 where: short stacking energy: -6.249 Base-Backbone interact. energy: -0.000 local terms energy: -26.022633 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -2.680 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -28.097472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.097472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.097472 (E_RNA) where: Base-Base interactions energy: -8.989 where: short stacking energy: -8.989 Base-Backbone interact. energy: -0.036 local terms energy: -19.071703 where: bonds (distance) C4'-P energy: -4.969 bonds (distance) P-C4' energy: -4.709 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -30.818643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818643 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.012 local terms energy: -20.665347 where: bonds (distance) C4'-P energy: -1.277 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -29.645476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.645476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.645476 (E_RNA) where: Base-Base interactions energy: -3.964 where: short stacking energy: -3.964 Base-Backbone interact. energy: -0.015 local terms energy: -25.667370 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -38.699043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.699043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.699043 (E_RNA) where: Base-Base interactions energy: -11.264 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.076 local terms energy: -27.358928 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -38.676494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.676494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.676494 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.096 local terms energy: -27.590263 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -34.736910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.736910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.736910 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -7.773 Base-Backbone interact. energy: -0.000 local terms energy: -26.964161 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -5.546 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: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -33.788088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.788088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.788088 (E_RNA) where: Base-Base interactions energy: -6.306 where: short stacking energy: -6.306 Base-Backbone interact. energy: -0.085 local terms energy: -27.396741 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -38.368090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.368090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.368090 (E_RNA) where: Base-Base interactions energy: -13.354 where: short stacking energy: -13.354 Base-Backbone interact. energy: -0.015 local terms energy: -24.998869 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -32.655916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.655916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.655916 (E_RNA) where: Base-Base interactions energy: -6.463 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.011 local terms energy: -26.182371 where: bonds (distance) C4'-P energy: -5.132 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -35.287740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.287740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.287740 (E_RNA) where: Base-Base interactions energy: -6.518 where: short stacking energy: -6.518 Base-Backbone interact. energy: -0.101 local terms energy: -28.668730 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -32.241948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.241948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.241948 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.004 local terms energy: -25.592470 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.579 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: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -33.271003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271003 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: -0.000 local terms energy: -25.965121 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.386 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: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -29.053391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.053391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.053391 (E_RNA) where: Base-Base interactions energy: -4.754 where: short stacking energy: -4.754 Base-Backbone interact. energy: -0.064 local terms energy: -24.234951 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: 0.219 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: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -39.638138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.638138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.638138 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.007 local terms energy: -28.918829 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -3.133 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: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -43.178433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.178433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.178433 (E_RNA) where: Base-Base interactions energy: -15.533 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.000 local terms energy: -27.645780 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -36.256360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.256360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.256360 (E_RNA) where: Base-Base interactions energy: -10.531 where: short stacking energy: -10.531 Base-Backbone interact. energy: -0.000 local terms energy: -25.725051 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -4.229 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: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -35.172437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.172437 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.046 local terms energy: -24.868617 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -0.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -34.363928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.363928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.363928 (E_RNA) where: Base-Base interactions energy: -11.817 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.006 local terms energy: -22.540733 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -4.768 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -32.108556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.108556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.108556 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.008 local terms energy: -22.368483 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -2.289 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: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -28.799405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.799405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.799405 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -4.159 Base-Backbone interact. energy: -0.031 local terms energy: -20.503467 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: 0.681 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: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -31.311542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.311542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.311542 (E_RNA) where: Base-Base interactions energy: -5.589 where: short stacking energy: -5.589 Base-Backbone interact. energy: -0.000 local terms energy: -25.722101 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -31.405377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405377 (E_RNA) where: Base-Base interactions energy: -9.932 where: short stacking energy: -9.932 Base-Backbone interact. energy: -0.015 local terms energy: -21.458056 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -1.788 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: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -29.166601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.166601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.166601 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.019 local terms energy: -21.143247 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -0.771 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -38.813579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813579 (E_RNA) where: Base-Base interactions energy: -10.512 where: short stacking energy: -7.841 Base-Backbone interact. energy: -0.020 local terms energy: -28.281632 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -36.930217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.930217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.930217 (E_RNA) where: Base-Base interactions energy: -9.374 where: short stacking energy: -9.374 Base-Backbone interact. energy: -0.000 local terms energy: -27.555673 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -35.158908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.158908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.158908 (E_RNA) where: Base-Base interactions energy: -6.550 where: short stacking energy: -6.550 Base-Backbone interact. energy: -0.063 local terms energy: -28.545599 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -38.096519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096519 (E_RNA) where: Base-Base interactions energy: -10.192 where: short stacking energy: -10.192 Base-Backbone interact. energy: -0.000 local terms energy: -27.904789 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -3.873 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: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -32.864360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.864360 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.063 local terms energy: -25.432907 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -4.071 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: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -35.145565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.145565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.145565 (E_RNA) where: Base-Base interactions energy: -9.875 where: short stacking energy: -9.875 Base-Backbone interact. energy: -0.052 local terms energy: -25.218690 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -34.648966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.648966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.648966 (E_RNA) where: Base-Base interactions energy: -9.338 where: short stacking energy: -9.338 Base-Backbone interact. energy: -0.000 local terms energy: -25.311053 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -3.693 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: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -26.676300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.676300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.676300 (E_RNA) where: Base-Base interactions energy: -5.301 where: short stacking energy: -5.301 Base-Backbone interact. energy: -0.015 local terms energy: -21.360932 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: 2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -30.345000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.345000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.345000 (E_RNA) where: Base-Base interactions energy: -5.754 where: short stacking energy: -5.754 Base-Backbone interact. energy: -0.000 local terms energy: -24.590544 where: bonds (distance) C4'-P energy: -3.737 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -3.894 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -27.893934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.893934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.893934 (E_RNA) where: Base-Base interactions energy: -1.592 where: short stacking energy: -2.089 Base-Backbone interact. energy: -0.000 local terms energy: -26.301605 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.167 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: 145 Temperature: 0.900000 Total energy: -40.688023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.688023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.688023 (E_RNA) where: Base-Base interactions energy: -10.214 where: short stacking energy: -10.214 Base-Backbone interact. energy: -0.000 local terms energy: -30.473878 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -39.597243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.597243 (E_RNA) where: Base-Base interactions energy: -10.903 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.001 local terms energy: -28.693744 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -38.794809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.794809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.794809 (E_RNA) where: Base-Base interactions energy: -10.654 where: short stacking energy: -10.654 Base-Backbone interact. energy: -0.122 local terms energy: -28.018705 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -36.837435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.837435 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.000 local terms energy: -27.855351 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -5.017 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: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -28.171859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.171859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.171859 (E_RNA) where: Base-Base interactions energy: -6.364 where: short stacking energy: -6.364 Base-Backbone interact. energy: -0.020 local terms energy: -21.788060 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -31.586270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.586270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.586270 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.878 local terms energy: -22.355277 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -2.558 tors. eta vs tors. theta energy: -2.777 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: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -30.805409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.805409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.805409 (E_RNA) where: Base-Base interactions energy: -7.665 where: short stacking energy: -7.665 Base-Backbone interact. energy: -0.019 local terms energy: -23.120996 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -33.109576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.109576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.109576 (E_RNA) where: Base-Base interactions energy: -13.670 where: short stacking energy: -13.670 Base-Backbone interact. energy: -0.000 local terms energy: -19.439498 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -30.223168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.223168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.223168 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.839 Base-Backbone interact. energy: -0.053 local terms energy: -23.331032 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -28.453268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.453268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.453268 (E_RNA) where: Base-Base interactions energy: -5.427 where: short stacking energy: -5.427 Base-Backbone interact. energy: -0.038 local terms energy: -22.988499 where: bonds (distance) C4'-P energy: -2.529 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -39.810662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810662 (E_RNA) where: Base-Base interactions energy: -12.858 where: short stacking energy: -12.858 Base-Backbone interact. energy: -0.098 local terms energy: -26.854735 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -41.171964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.171964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.171964 (E_RNA) where: Base-Base interactions energy: -10.605 where: short stacking energy: -10.605 Base-Backbone interact. energy: -0.082 local terms energy: -30.484924 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.783 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: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -32.934487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.934487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.934487 (E_RNA) where: Base-Base interactions energy: -7.562 where: short stacking energy: -7.562 Base-Backbone interact. energy: -0.004 local terms energy: -25.368357 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -3.308 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: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -38.917226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.917226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.917226 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.077 local terms energy: -28.497560 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -34.373623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.373623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.373623 (E_RNA) where: Base-Base interactions energy: -11.030 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.000 local terms energy: -23.343237 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -27.667572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.667572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.667572 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.185 local terms energy: -21.122449 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -31.558976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.558976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.558976 (E_RNA) where: Base-Base interactions energy: -6.292 where: short stacking energy: -6.292 Base-Backbone interact. energy: -0.012 local terms energy: -25.254973 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -31.722837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.722837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.722837 (E_RNA) where: Base-Base interactions energy: -4.590 where: short stacking energy: -4.590 Base-Backbone interact. energy: -0.001 local terms energy: -27.132016 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -3.488 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: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -30.139961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.139961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.139961 (E_RNA) where: Base-Base interactions energy: -7.722 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.005 local terms energy: -22.412944 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -1.163 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: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -29.272937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.272937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.272937 (E_RNA) where: Base-Base interactions energy: -4.217 where: short stacking energy: -4.217 Base-Backbone interact. energy: -0.001 local terms energy: -25.054471 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -4.471 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -41.213032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.213032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.213032 (E_RNA) where: Base-Base interactions energy: -12.433 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.295 local terms energy: -28.485325 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -37.639611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.639611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.639611 (E_RNA) where: Base-Base interactions energy: -12.504 where: short stacking energy: -11.193 Base-Backbone interact. energy: -0.070 local terms energy: -25.064694 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -35.776771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.776771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.776771 (E_RNA) where: Base-Base interactions energy: -12.229 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.001 local terms energy: -23.546754 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -35.929067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.929067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.929067 (E_RNA) where: Base-Base interactions energy: -10.525 where: short stacking energy: -10.525 Base-Backbone interact. energy: -0.006 local terms energy: -25.398403 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -0.009 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: 147 Temperature: 1.100000 Total energy: -36.252924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.252924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.252924 (E_RNA) where: Base-Base interactions energy: -11.511 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.099 local terms energy: -24.643424 where: bonds (distance) C4'-P energy: -4.054 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -34.108952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.108952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.108952 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.029 local terms energy: -26.443998 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -34.901627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.901627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.901627 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.562 local terms energy: -21.376369 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -3.014 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: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -30.772095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.772095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.772095 (E_RNA) where: Base-Base interactions energy: -4.807 where: short stacking energy: -4.807 Base-Backbone interact. energy: -0.700 local terms energy: -25.264622 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -31.257441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.257441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.257441 (E_RNA) where: Base-Base interactions energy: -9.367 where: short stacking energy: -5.239 Base-Backbone interact. energy: -0.129 local terms energy: -21.761303 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.115 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -27.559140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.559140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.559140 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -8.773 Base-Backbone interact. energy: -0.050 local terms energy: -17.905495 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: 0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -35.784201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784201 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.720 Base-Backbone interact. energy: -0.003 local terms energy: -23.061652 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -39.985589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.985589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.985589 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.003 local terms energy: -28.682858 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -3.976 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: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -36.363861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.363861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.363861 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: 0.164 local terms energy: -22.136001 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -0.192 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: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -34.451650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.451650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.451650 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.000 local terms energy: -26.483266 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -2.080 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: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -30.161867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.161867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.161867 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.071 local terms energy: -21.657700 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -2.557 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: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -35.235347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.235347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.235347 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.000 local terms energy: -25.418349 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.319 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -33.389006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.389006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.389006 (E_RNA) where: Base-Base interactions energy: -10.429 where: short stacking energy: -10.429 Base-Backbone interact. energy: -0.063 local terms energy: -22.896794 where: bonds (distance) C4'-P energy: -4.100 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -30.868168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.868168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.868168 (E_RNA) where: Base-Base interactions energy: -9.180 where: short stacking energy: -9.180 Base-Backbone interact. energy: -0.004 local terms energy: -21.684392 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -1.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -28.622910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622910 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.111 local terms energy: -20.883162 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: 1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -30.640260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.640260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.640260 (E_RNA) where: Base-Base interactions energy: -10.067 where: short stacking energy: -10.067 Base-Backbone interact. energy: -0.093 local terms energy: -20.480692 where: bonds (distance) C4'-P energy: -2.866 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: 0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -34.069042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.069042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.069042 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: -0.111 local terms energy: -26.747557 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.723 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: 2, replica: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -39.566785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.566785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.566785 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.002 local terms energy: -27.873777 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.771 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: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -33.191542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.191542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.191542 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.053 local terms energy: -25.863294 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -35.244950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.244950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.244950 (E_RNA) where: Base-Base interactions energy: -9.657 where: short stacking energy: -9.657 Base-Backbone interact. energy: -0.185 local terms energy: -25.403190 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -1.606 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: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -36.425990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.425990 (E_RNA) where: Base-Base interactions energy: -9.370 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.907 local terms energy: -26.148741 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -31.344225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.344225 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.003 local terms energy: -24.002277 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -35.194404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.194404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.194404 (E_RNA) where: Base-Base interactions energy: -11.774 where: short stacking energy: -11.774 Base-Backbone interact. energy: -0.002 local terms energy: -23.418445 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.180 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -31.611724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.611724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.611724 (E_RNA) where: Base-Base interactions energy: -8.188 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.048 local terms energy: -23.376062 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: 2.424 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: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -30.519516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.519516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.519516 (E_RNA) where: Base-Base interactions energy: -9.306 where: short stacking energy: -9.306 Base-Backbone interact. energy: 0.978 local terms energy: -22.192032 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -2.638 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -27.549283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.549283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.549283 (E_RNA) where: Base-Base interactions energy: -3.033 where: short stacking energy: -3.033 Base-Backbone interact. energy: -0.066 local terms energy: -24.450525 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.154 flat angles P-C4'-P energy: -2.282 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: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -34.368240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.368240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.368240 (E_RNA) where: Base-Base interactions energy: -7.978 where: short stacking energy: -7.978 Base-Backbone interact. energy: -0.009 local terms energy: -26.381291 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -35.288230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.288230 (E_RNA) where: Base-Base interactions energy: -10.275 where: short stacking energy: -10.275 Base-Backbone interact. energy: -0.010 local terms energy: -25.002998 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: 0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -36.783624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783624 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.000 local terms energy: -25.261142 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -2.878 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: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -30.432936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.432936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.432936 (E_RNA) where: Base-Base interactions energy: -6.506 where: short stacking energy: -6.506 Base-Backbone interact. energy: -0.039 local terms energy: -23.888155 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -0.685 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -32.494405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.494405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.494405 (E_RNA) where: Base-Base interactions energy: -8.874 where: short stacking energy: -8.874 Base-Backbone interact. energy: -0.086 local terms energy: -23.534726 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -1.062 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -35.127105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.127105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.127105 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -9.232 Base-Backbone interact. energy: -0.039 local terms energy: -25.856052 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -32.830791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.830791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.830791 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.000 local terms energy: -25.022604 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -3.537 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: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -30.053626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.053626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.053626 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.148 local terms energy: -20.661003 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -0.628 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: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -32.542547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.542547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.542547 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.000 local terms energy: -23.930576 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -27.465098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465098 (E_RNA) where: Base-Base interactions energy: -3.843 where: short stacking energy: -1.749 Base-Backbone interact. energy: -0.743 local terms energy: -22.878741 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -41.394597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.394597 (E_RNA) where: Base-Base interactions energy: -12.917 where: short stacking energy: -12.917 Base-Backbone interact. energy: -0.001 local terms energy: -28.476793 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -4.820 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: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -39.335927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.335927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.335927 (E_RNA) where: Base-Base interactions energy: -14.354 where: short stacking energy: -14.354 Base-Backbone interact. energy: -0.000 local terms energy: -24.981662 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.410 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: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -36.749054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.749054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.749054 (E_RNA) where: Base-Base interactions energy: -9.457 where: short stacking energy: -9.457 Base-Backbone interact. energy: -0.724 local terms energy: -26.568306 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -2.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -38.325137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.325137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.325137 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.002 local terms energy: -24.841910 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -32.180313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.180313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.180313 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.025 local terms energy: -24.610039 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -33.643739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.643739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.643739 (E_RNA) where: Base-Base interactions energy: -11.850 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.011 local terms energy: -21.782359 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -31.938375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938375 (E_RNA) where: Base-Base interactions energy: -5.699 where: short stacking energy: -5.699 Base-Backbone interact. energy: -0.005 local terms energy: -26.233914 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.881 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: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -35.590397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.590397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.590397 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: 0.898 local terms energy: -26.561483 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -30.136338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.136338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.136338 (E_RNA) where: Base-Base interactions energy: -6.834 where: short stacking energy: -6.834 Base-Backbone interact. energy: -0.002 local terms energy: -23.299670 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -30.697270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.697270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.697270 (E_RNA) where: Base-Base interactions energy: -11.659 where: short stacking energy: -11.659 Base-Backbone interact. energy: -0.011 local terms energy: -19.027522 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -36.772959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.772959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.772959 (E_RNA) where: Base-Base interactions energy: -11.573 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.146 local terms energy: -25.054457 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -0.795 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: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -41.647984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647984 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.000 local terms energy: -29.227606 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -38.214349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.214349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.214349 (E_RNA) where: Base-Base interactions energy: -10.115 where: short stacking energy: -10.115 Base-Backbone interact. energy: -0.000 local terms energy: -28.098976 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -3.362 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: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -30.967637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.967637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.967637 (E_RNA) where: Base-Base interactions energy: -10.093 where: short stacking energy: -10.093 Base-Backbone interact. energy: -0.005 local terms energy: -20.870089 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.268 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: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -33.626895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.626895 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.000 local terms energy: -24.388372 where: bonds (distance) C4'-P energy: -6.183 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -34.668706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.668706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.668706 (E_RNA) where: Base-Base interactions energy: -7.293 where: short stacking energy: -6.613 Base-Backbone interact. energy: -0.002 local terms energy: -27.373890 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -31.045415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.045415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.045415 (E_RNA) where: Base-Base interactions energy: -10.054 where: short stacking energy: -10.054 Base-Backbone interact. energy: -0.117 local terms energy: -20.873630 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -32.945556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.945556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.945556 (E_RNA) where: Base-Base interactions energy: -9.004 where: short stacking energy: -9.004 Base-Backbone interact. energy: -0.082 local terms energy: -23.860100 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -1.895 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: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -28.926572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926572 (E_RNA) where: Base-Base interactions energy: -6.622 where: short stacking energy: -5.313 Base-Backbone interact. energy: -0.018 local terms energy: -22.286231 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -30.291236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.291236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.291236 (E_RNA) where: Base-Base interactions energy: -7.739 where: short stacking energy: -7.739 Base-Backbone interact. energy: -0.005 local terms energy: -22.547408 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -44.207620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.207620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.207620 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.002 local terms energy: -30.086111 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -5.611 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: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -36.178492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.178492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.178492 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -1.205 local terms energy: -26.445447 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -34.386168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.386168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.386168 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.019 local terms energy: -24.448304 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: 0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -34.878947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.878947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.878947 (E_RNA) where: Base-Base interactions energy: -8.957 where: short stacking energy: -8.957 Base-Backbone interact. energy: -0.049 local terms energy: -25.873312 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -36.613633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.613633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.613633 (E_RNA) where: Base-Base interactions energy: -10.688 where: short stacking energy: -10.688 Base-Backbone interact. energy: -0.000 local terms energy: -25.925688 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -33.768096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.768096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.768096 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.011 local terms energy: -22.507876 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.376 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: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -31.301716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301716 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.673 local terms energy: -22.502345 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.266 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: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -29.459167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.459167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.459167 (E_RNA) where: Base-Base interactions energy: -4.113 where: short stacking energy: -4.113 Base-Backbone interact. energy: 0.470 local terms energy: -25.816517 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -0.190 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: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -30.003413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.003413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.003413 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.115 local terms energy: -23.519334 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -30.238237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.238237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.238237 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.000 local terms energy: -19.218521 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -38.879780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.879780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.879780 (E_RNA) where: Base-Base interactions energy: -10.565 where: short stacking energy: -10.565 Base-Backbone interact. energy: -0.000 local terms energy: -28.314661 where: bonds (distance) C4'-P energy: -5.872 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -1.718 tors. eta vs tors. theta energy: -6.584 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: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -38.678099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.678099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.678099 (E_RNA) where: Base-Base interactions energy: -14.186 where: short stacking energy: -12.526 Base-Backbone interact. energy: -0.086 local terms energy: -24.406259 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -0.689 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -39.768331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.768331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.768331 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -12.153 Base-Backbone interact. energy: -0.000 local terms energy: -27.960853 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -33.976002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976002 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.019 local terms energy: -26.093231 where: bonds (distance) C4'-P energy: -4.162 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -2.157 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: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -35.103523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.103523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.103523 (E_RNA) where: Base-Base interactions energy: -10.652 where: short stacking energy: -10.652 Base-Backbone interact. energy: -0.621 local terms energy: -23.830191 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -0.120 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -33.932115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.932115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.932115 (E_RNA) where: Base-Base interactions energy: -6.312 where: short stacking energy: -6.312 Base-Backbone interact. energy: -0.001 local terms energy: -27.619987 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -30.555353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.555353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.555353 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.047 local terms energy: -23.948944 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.609 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -1.173 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: 8, replica: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -29.171541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.171541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.171541 (E_RNA) where: Base-Base interactions energy: -10.950 where: short stacking energy: -10.950 Base-Backbone interact. energy: -0.001 local terms energy: -18.220464 where: bonds (distance) C4'-P energy: -3.447 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -1.793 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -3.960 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: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -28.759419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.759419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.759419 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.095 local terms energy: -20.035785 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: 0.615 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: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -28.246306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.246306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.246306 (E_RNA) where: Base-Base interactions energy: -6.746 where: short stacking energy: -6.746 Base-Backbone interact. energy: -0.055 local terms energy: -21.444866 where: bonds (distance) C4'-P energy: -2.656 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -39.695521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.695521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.695521 (E_RNA) where: Base-Base interactions energy: -12.747 where: short stacking energy: -12.747 Base-Backbone interact. energy: -0.118 local terms energy: -26.830556 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -38.014923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.014923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.014923 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.062 local terms energy: -28.011972 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -39.544659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.544659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.544659 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.000 local terms energy: -29.031828 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -5.814 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: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -32.339015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339015 (E_RNA) where: Base-Base interactions energy: -6.243 where: short stacking energy: -6.351 Base-Backbone interact. energy: -0.069 local terms energy: -26.026651 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -31.803231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.803231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.803231 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.117 local terms energy: -24.038472 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -33.542498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542498 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.137 local terms energy: -22.268019 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.911 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: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -36.823268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.823268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.823268 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.042 Base-Backbone interact. energy: -0.054 local terms energy: -23.522151 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -4.330 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: 8, replica: 9 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -29.154817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.154817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.154817 (E_RNA) where: Base-Base interactions energy: -8.186 where: short stacking energy: -8.186 Base-Backbone interact. energy: -0.050 local terms energy: -20.918529 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -2.522 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -25.727611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.727611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.727611 (E_RNA) where: Base-Base interactions energy: -3.422 where: short stacking energy: -3.422 Base-Backbone interact. energy: -0.106 local terms energy: -22.199622 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: 1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -28.108230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.108230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.108230 (E_RNA) where: Base-Base interactions energy: -8.019 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.013 local terms energy: -20.075521 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -2.353 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: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -38.816221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816221 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.004 local terms energy: -28.503177 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -35.456551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.456551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.456551 (E_RNA) where: Base-Base interactions energy: -9.747 where: short stacking energy: -9.747 Base-Backbone interact. energy: -0.000 local terms energy: -25.710018 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -2.801 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: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -40.774783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.774783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.774783 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.083 local terms energy: -26.487660 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -3.199 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: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -32.117729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.117729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.117729 (E_RNA) where: Base-Base interactions energy: -7.394 where: short stacking energy: -7.394 Base-Backbone interact. energy: -0.195 local terms energy: -24.528869 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: 0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -34.159150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.159150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.159150 (E_RNA) where: Base-Base interactions energy: -10.481 where: short stacking energy: -10.481 Base-Backbone interact. energy: -0.392 local terms energy: -23.285677 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -5.258 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -27.673392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673392 (E_RNA) where: Base-Base interactions energy: -6.641 where: short stacking energy: -6.641 Base-Backbone interact. energy: -0.077 local terms energy: -20.955443 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -2.387 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -1.763 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: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -27.861165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.861165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.861165 (E_RNA) where: Base-Base interactions energy: -4.263 where: short stacking energy: -4.263 Base-Backbone interact. energy: -0.091 local terms energy: -23.506859 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -30.117971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.117971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.117971 (E_RNA) where: Base-Base interactions energy: -5.199 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.035 local terms energy: -24.884287 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: 0.368 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: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -30.408455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.408455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.408455 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: -5.987 Base-Backbone interact. energy: -0.000 local terms energy: -24.420870 where: bonds (distance) C4'-P energy: -5.135 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -27.828107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.828107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.828107 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.012 local terms energy: -21.255778 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: 1.505 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: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -36.171317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171317 (E_RNA) where: Base-Base interactions energy: -7.327 where: short stacking energy: -7.327 Base-Backbone interact. energy: -1.181 local terms energy: -27.662368 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -37.196895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.196895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.196895 (E_RNA) where: Base-Base interactions energy: -11.953 where: short stacking energy: -11.953 Base-Backbone interact. energy: -0.073 local terms energy: -25.170678 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -3.737 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: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -39.255649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.255649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.255649 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.213 local terms energy: -25.479202 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -4.614 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: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -28.681765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.681765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.681765 (E_RNA) where: Base-Base interactions energy: -5.889 where: short stacking energy: -5.889 Base-Backbone interact. energy: -0.025 local terms energy: -22.767554 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -0.439 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -31.778439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.778439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.778439 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.132 local terms energy: -23.938519 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: 0.107 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: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -34.909333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.909333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.909333 (E_RNA) where: Base-Base interactions energy: -12.472 where: short stacking energy: -12.472 Base-Backbone interact. energy: -0.002 local terms energy: -22.435092 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -1.704 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: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -27.673555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673555 (E_RNA) where: Base-Base interactions energy: -5.181 where: short stacking energy: -3.912 Base-Backbone interact. energy: -0.303 local terms energy: -22.189553 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -33.405846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.405846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.405846 (E_RNA) where: Base-Base interactions energy: -12.493 where: short stacking energy: -12.493 Base-Backbone interact. energy: -0.045 local terms energy: -20.867579 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -30.512292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.512292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.512292 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.669 Base-Backbone interact. energy: -0.318 local terms energy: -22.845868 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -26.291503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.291503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.291503 (E_RNA) where: Base-Base interactions energy: -3.109 where: short stacking energy: -2.127 Base-Backbone interact. energy: -0.059 local terms energy: -23.123359 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: 0.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -37.600817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.600817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.600817 (E_RNA) where: Base-Base interactions energy: -10.202 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.000 local terms energy: -27.398591 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -41.478884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.478884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.478884 (E_RNA) where: Base-Base interactions energy: -12.134 where: short stacking energy: -12.134 Base-Backbone interact. energy: -0.000 local terms energy: -29.344457 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -36.736897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.736897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.736897 (E_RNA) where: Base-Base interactions energy: -15.954 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.001 local terms energy: -20.781827 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -38.069733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.069733 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.005 local terms energy: -26.457174 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -36.469633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.469633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.469633 (E_RNA) where: Base-Base interactions energy: -9.424 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.000 local terms energy: -27.045340 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -3.392 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: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -32.530800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.530800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.530800 (E_RNA) where: Base-Base interactions energy: -6.245 where: short stacking energy: -6.245 Base-Backbone interact. energy: -0.044 local terms energy: -26.242141 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -1.256 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: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -32.166591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.166591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.166591 (E_RNA) where: Base-Base interactions energy: -11.439 where: short stacking energy: -11.439 Base-Backbone interact. energy: -0.001 local terms energy: -20.726791 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -29.164138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.164138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.164138 (E_RNA) where: Base-Base interactions energy: -5.964 where: short stacking energy: -5.964 Base-Backbone interact. energy: -0.148 local terms energy: -23.051974 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: 0.543 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: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -31.690746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.690746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.690746 (E_RNA) where: Base-Base interactions energy: -7.790 where: short stacking energy: -7.790 Base-Backbone interact. energy: -0.000 local terms energy: -23.900915 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.320 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -32.765212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.765212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.765212 (E_RNA) where: Base-Base interactions energy: -9.532 where: short stacking energy: -9.532 Base-Backbone interact. energy: -0.007 local terms energy: -23.226404 where: bonds (distance) C4'-P energy: 0.499 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -39.650980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.650980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.650980 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.000 local terms energy: -26.008441 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -37.506327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.506327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.506327 (E_RNA) where: Base-Base interactions energy: -10.939 where: short stacking energy: -10.939 Base-Backbone interact. energy: -0.024 local terms energy: -26.542665 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -2.758 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: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -38.844057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.844057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.844057 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.000 local terms energy: -27.637205 where: bonds (distance) C4'-P energy: -4.879 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -34.968499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.968499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.968499 (E_RNA) where: Base-Base interactions energy: -10.983 where: short stacking energy: -10.983 Base-Backbone interact. energy: -0.036 local terms energy: -23.949204 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -36.277566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.277566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.277566 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.018 local terms energy: -26.063575 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -1.905 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: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -33.723440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.723440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.723440 (E_RNA) where: Base-Base interactions energy: -12.490 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.011 local terms energy: -21.221889 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -29.562196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.562196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.562196 (E_RNA) where: Base-Base interactions energy: -5.609 where: short stacking energy: -5.609 Base-Backbone interact. energy: -0.887 local terms energy: -23.065988 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -31.113647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.113647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.113647 (E_RNA) where: Base-Base interactions energy: -10.354 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.086 local terms energy: -20.673931 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.145 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -0.952 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: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -31.503813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.503813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.503813 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.133 local terms energy: -24.372979 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -3.164 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -26.963339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.963339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.963339 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.000 local terms energy: -16.338428 where: bonds (distance) C4'-P energy: -3.348 bonds (distance) P-C4' energy: -3.646 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -36.083149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.083149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.083149 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.000 local terms energy: -28.797095 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -38.915922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.915922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.915922 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -12.335 Base-Backbone interact. energy: -0.042 local terms energy: -26.538965 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -37.535819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.535819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.535819 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.192 local terms energy: -24.963185 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -38.284912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.284912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.284912 (E_RNA) where: Base-Base interactions energy: -11.087 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.000 local terms energy: -27.197705 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.549 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -2.669 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: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -35.825911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.825911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.825911 (E_RNA) where: Base-Base interactions energy: -10.893 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.098 local terms energy: -24.834683 where: bonds (distance) C4'-P energy: -3.612 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -38.583633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.583633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.583633 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.123 local terms energy: -26.587283 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -33.299507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299507 (E_RNA) where: Base-Base interactions energy: -10.405 where: short stacking energy: -10.405 Base-Backbone interact. energy: -0.021 local terms energy: -22.872935 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -4.001 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -29.035216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.035216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.035216 (E_RNA) where: Base-Base interactions energy: -4.064 where: short stacking energy: -4.064 Base-Backbone interact. energy: -0.022 local terms energy: -24.949128 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -30.959255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.959255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.959255 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.091 local terms energy: -24.201399 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -32.569019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.569019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.569019 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.005 local terms energy: -20.959240 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: 0.284 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: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -38.785898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.785898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.785898 (E_RNA) where: Base-Base interactions energy: -10.326 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.111 local terms energy: -28.348953 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -37.284898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.284898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.284898 (E_RNA) where: Base-Base interactions energy: -9.224 where: short stacking energy: -9.224 Base-Backbone interact. energy: -0.003 local terms energy: -28.058102 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -40.906487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.906487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.906487 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.000 local terms energy: -30.184623 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -41.659544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.659544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.659544 (E_RNA) where: Base-Base interactions energy: -14.863 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.000 local terms energy: -26.796461 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -3.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -32.093241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.093241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.093241 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.000 local terms energy: -25.128656 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -32.371483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.371483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.371483 (E_RNA) where: Base-Base interactions energy: -8.740 where: short stacking energy: -8.740 Base-Backbone interact. energy: -0.082 local terms energy: -23.549275 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -0.670 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: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -32.740684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.740684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.740684 (E_RNA) where: Base-Base interactions energy: -12.614 where: short stacking energy: -12.614 Base-Backbone interact. energy: -0.154 local terms energy: -19.972666 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -33.186584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.186584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.186584 (E_RNA) where: Base-Base interactions energy: -8.801 where: short stacking energy: -8.801 Base-Backbone interact. energy: -0.043 local terms energy: -24.342087 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -31.518326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518326 (E_RNA) where: Base-Base interactions energy: -10.890 where: short stacking energy: -10.890 Base-Backbone interact. energy: -0.004 local terms energy: -20.624331 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -4.376 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -31.114848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.114848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.114848 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -10.218 Base-Backbone interact. energy: -0.004 local terms energy: -20.893306 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -3.897 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -41.653514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.653514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.653514 (E_RNA) where: Base-Base interactions energy: -16.170 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.109 local terms energy: -25.374763 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.510 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.861 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: 162 Temperature: 0.950000 Total energy: -37.300256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.300256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.300256 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -10.828 Base-Backbone interact. energy: -0.004 local terms energy: -26.467905 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -40.728934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.728934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.728934 (E_RNA) where: Base-Base interactions energy: -13.332 where: short stacking energy: -13.332 Base-Backbone interact. energy: -0.000 local terms energy: -27.396595 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -4.037 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: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -37.295832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.295832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.295832 (E_RNA) where: Base-Base interactions energy: -11.204 where: short stacking energy: -11.204 Base-Backbone interact. energy: -0.001 local terms energy: -26.091094 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -4.053 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: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -36.055969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.055969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.055969 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.066 local terms energy: -25.244907 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: 0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -35.600285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.600285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.600285 (E_RNA) where: Base-Base interactions energy: -8.892 where: short stacking energy: -8.892 Base-Backbone interact. energy: -0.000 local terms energy: -26.708732 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -2.334 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -7.513 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -29.322708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322708 (E_RNA) where: Base-Base interactions energy: -4.742 where: short stacking energy: -4.742 Base-Backbone interact. energy: -0.105 local terms energy: -24.475952 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -27.566451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.566451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.566451 (E_RNA) where: Base-Base interactions energy: -7.365 where: short stacking energy: -7.365 Base-Backbone interact. energy: -0.018 local terms energy: -20.184055 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: 1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -28.611471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.611471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.611471 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.021 local terms energy: -20.674101 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -30.715085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.715085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.715085 (E_RNA) where: Base-Base interactions energy: -7.721 where: short stacking energy: -7.721 Base-Backbone interact. energy: -0.001 local terms energy: -22.993157 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -40.753523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.753523 (E_RNA) where: Base-Base interactions energy: -13.063 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.002 local terms energy: -27.688415 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.132 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: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -36.919313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.919313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.919313 (E_RNA) where: Base-Base interactions energy: -11.849 where: short stacking energy: -11.849 Base-Backbone interact. energy: -0.000 local terms energy: -25.070699 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -3.426 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: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -36.901570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.901570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.901570 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.001 local terms energy: -23.292526 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -3.146 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: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -37.781170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.781170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.781170 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.111 local terms energy: -27.756582 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -3.540 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: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -32.240926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.240926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.240926 (E_RNA) where: Base-Base interactions energy: -4.588 where: short stacking energy: -4.588 Base-Backbone interact. energy: -0.000 local terms energy: -27.652326 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -5.641 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: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -31.228349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.228349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.228349 (E_RNA) where: Base-Base interactions energy: -6.602 where: short stacking energy: -6.602 Base-Backbone interact. energy: -0.000 local terms energy: -24.626328 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -2.988 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -30.399639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.399639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.399639 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.000 local terms energy: -23.738402 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: 0.147 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: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -28.668667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.668667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.668667 (E_RNA) where: Base-Base interactions energy: -6.840 where: short stacking energy: -5.634 Base-Backbone interact. energy: -0.084 local terms energy: -21.744285 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: 1.550 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: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -29.137866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.137866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.137866 (E_RNA) where: Base-Base interactions energy: -8.079 where: short stacking energy: -8.079 Base-Backbone interact. energy: -0.072 local terms energy: -20.987476 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -2.237 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: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -29.048776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.048776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.048776 (E_RNA) where: Base-Base interactions energy: -8.211 where: short stacking energy: -8.211 Base-Backbone interact. energy: -0.100 local terms energy: -20.737744 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -42.900046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.900046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.900046 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.016 local terms energy: -27.862338 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -3.431 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: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -37.165367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.165367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.165367 (E_RNA) where: Base-Base interactions energy: -13.078 where: short stacking energy: -13.078 Base-Backbone interact. energy: -0.002 local terms energy: -24.085397 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -39.622694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622694 (E_RNA) where: Base-Base interactions energy: -15.559 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.001 local terms energy: -24.062216 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -35.841416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841416 (E_RNA) where: Base-Base interactions energy: -10.094 where: short stacking energy: -10.094 Base-Backbone interact. energy: -0.000 local terms energy: -25.747051 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -36.993269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.993269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.993269 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.000 local terms energy: -23.748770 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -2.373 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: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -30.714353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.714353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.714353 (E_RNA) where: Base-Base interactions energy: -5.876 where: short stacking energy: -5.876 Base-Backbone interact. energy: -0.000 local terms energy: -24.838547 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -29.591995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.591995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.591995 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.003 local terms energy: -22.648740 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -28.462789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.462789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.462789 (E_RNA) where: Base-Base interactions energy: -5.152 where: short stacking energy: -5.152 Base-Backbone interact. energy: -0.017 local terms energy: -23.293898 where: bonds (distance) C4'-P energy: -5.504 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -32.628813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.628813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.628813 (E_RNA) where: Base-Base interactions energy: -10.316 where: short stacking energy: -10.316 Base-Backbone interact. energy: -0.001 local terms energy: -22.312051 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -0.990 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: 164 Temperature: 1.350000 Total energy: -26.395431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.395431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.395431 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.003 local terms energy: -20.554748 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -6.066 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -1.998 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -34.710351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.710351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.710351 (E_RNA) where: Base-Base interactions energy: -9.722 where: short stacking energy: -9.722 Base-Backbone interact. energy: -0.054 local terms energy: -24.933944 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: 0.251 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: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -33.723511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.723511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.723511 (E_RNA) where: Base-Base interactions energy: -7.839 where: short stacking energy: -7.839 Base-Backbone interact. energy: -0.114 local terms energy: -25.771032 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -33.913994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.913994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.913994 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.001 local terms energy: -22.677635 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.494 flat angles C4'-P-C4' energy: -1.944 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -31.277567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.277567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.277567 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.013 local terms energy: -24.357514 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -31.442767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.442767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.442767 (E_RNA) where: Base-Base interactions energy: -7.886 where: short stacking energy: -7.886 Base-Backbone interact. energy: -0.090 local terms energy: -23.466724 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -35.814200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.814200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.814200 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.000 local terms energy: -23.633912 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.592 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: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -27.096937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.096937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.096937 (E_RNA) where: Base-Base interactions energy: -6.074 where: short stacking energy: -6.074 Base-Backbone interact. energy: -0.148 local terms energy: -20.875262 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -32.962934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.962934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.962934 (E_RNA) where: Base-Base interactions energy: -6.388 where: short stacking energy: -6.388 Base-Backbone interact. energy: -0.001 local terms energy: -26.574384 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -3.695 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: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -26.319271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.319271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.319271 (E_RNA) where: Base-Base interactions energy: -3.425 where: short stacking energy: -3.425 Base-Backbone interact. energy: -0.000 local terms energy: -22.894207 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -28.870107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.870107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.870107 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: -5.570 Base-Backbone interact. energy: -0.065 local terms energy: -23.234971 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -39.287787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.287787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.287787 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -1.053 local terms energy: -27.814923 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -3.436 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: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -37.423501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.423501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.423501 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.067 local terms energy: -28.278602 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -2.863 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: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -34.712700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.712700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.712700 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.060 local terms energy: -27.485254 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -3.199 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: 9 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -36.571906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.571906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.571906 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -10.909 Base-Backbone interact. energy: 0.122 local terms energy: -23.881169 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -35.493890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.493890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.493890 (E_RNA) where: Base-Base interactions energy: -11.444 where: short stacking energy: -11.444 Base-Backbone interact. energy: -0.003 local terms energy: -24.046055 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -1.221 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -31.104415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104415 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.000 local terms energy: -24.375036 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -31.796574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.796574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.796574 (E_RNA) where: Base-Base interactions energy: -9.905 where: short stacking energy: -9.905 Base-Backbone interact. energy: -0.025 local terms energy: -21.866629 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -31.620228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.620228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.620228 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.089 local terms energy: -24.136283 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -0.458 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: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -32.203389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.203389 (E_RNA) where: Base-Base interactions energy: -11.097 where: short stacking energy: -11.097 Base-Backbone interact. energy: -0.000 local terms energy: -21.106310 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -25.866804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.866804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.866804 (E_RNA) where: Base-Base interactions energy: -2.800 where: short stacking energy: -2.800 Base-Backbone interact. energy: 0.335 local terms energy: -23.402156 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -1.372 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: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -36.988940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.988940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.988940 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.053 local terms energy: -25.347513 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -3.862 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: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -41.548777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.548777 (E_RNA) where: Base-Base interactions energy: -14.373 where: short stacking energy: -14.373 Base-Backbone interact. energy: -0.000 local terms energy: -27.175379 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -34.294381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.294381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.294381 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.002 local terms energy: -23.457359 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -33.578977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.578977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.578977 (E_RNA) where: Base-Base interactions energy: -10.715 where: short stacking energy: -10.715 Base-Backbone interact. energy: -0.082 local terms energy: -22.782427 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -1.926 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: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -34.031306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.031306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.031306 (E_RNA) where: Base-Base interactions energy: -9.424 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.006 local terms energy: -24.601139 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -28.502832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.502832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.502832 (E_RNA) where: Base-Base interactions energy: -9.937 where: short stacking energy: -6.049 Base-Backbone interact. energy: -0.373 local terms energy: -18.193543 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -1.336 tors. eta vs tors. theta energy: -0.839 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: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -30.221248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.221248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.221248 (E_RNA) where: Base-Base interactions energy: -5.822 where: short stacking energy: -5.822 Base-Backbone interact. energy: -0.001 local terms energy: -24.398406 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -34.448144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.448144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.448144 (E_RNA) where: Base-Base interactions energy: -10.897 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.095 local terms energy: -23.456711 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -29.396906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.396906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.396906 (E_RNA) where: Base-Base interactions energy: -6.206 where: short stacking energy: -6.206 Base-Backbone interact. energy: -0.110 local terms energy: -23.081744 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -33.022398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.022398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.022398 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.063 local terms energy: -22.820714 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -44.818346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.818346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.818346 (E_RNA) where: Base-Base interactions energy: -14.717 where: short stacking energy: -14.717 Base-Backbone interact. energy: -0.000 local terms energy: -30.101236 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -7.165 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: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -41.301939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.301939 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.000 local terms energy: -29.479350 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -31.252489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.252489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.252489 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.101 local terms energy: -25.075641 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -2.876 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: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -37.756402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.756402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.756402 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.807 Base-Backbone interact. energy: -0.000 local terms energy: -24.949764 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -37.020814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.020814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.020814 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.013 local terms energy: -25.508724 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -34.302240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.302240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.302240 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.047 local terms energy: -22.313980 where: bonds (distance) C4'-P energy: -3.914 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -29.625562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625562 (E_RNA) where: Base-Base interactions energy: -8.334 where: short stacking energy: -8.334 Base-Backbone interact. energy: -0.122 local terms energy: -21.169306 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 0.098 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: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -30.207092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.207092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.207092 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: -4.161 Base-Backbone interact. energy: -0.086 local terms energy: -25.960142 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -30.297979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.297979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.297979 (E_RNA) where: Base-Base interactions energy: -9.829 where: short stacking energy: -8.626 Base-Backbone interact. energy: -0.001 local terms energy: -20.467890 where: bonds (distance) C4'-P energy: -4.147 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: 0.269 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: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -32.615032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.615032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.615032 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -6.281 Base-Backbone interact. energy: -0.015 local terms energy: -23.367820 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -36.529635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529635 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.039 local terms energy: -24.286411 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -40.271228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.271228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.271228 (E_RNA) where: Base-Base interactions energy: -12.312 where: short stacking energy: -12.312 Base-Backbone interact. energy: -0.000 local terms energy: -27.959719 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.692 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: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -36.691290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.691290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.691290 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.000 local terms energy: -25.716397 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.744 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: 4, replica: 9 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -33.649925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.649925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.649925 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.086 local terms energy: -22.210732 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -32.821745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.821745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.821745 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: 0.149 local terms energy: -21.482861 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -30.222129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.222129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.222129 (E_RNA) where: Base-Base interactions energy: -8.329 where: short stacking energy: -8.329 Base-Backbone interact. energy: -0.001 local terms energy: -21.892320 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -32.118637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.118637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.118637 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -7.565 Base-Backbone interact. energy: -0.001 local terms energy: -24.552826 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -30.708501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.708501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.708501 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.004 local terms energy: -22.380139 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -0.599 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -31.718665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.718665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.718665 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.369 local terms energy: -24.223571 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -26.473392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.473392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.473392 (E_RNA) where: Base-Base interactions energy: -3.008 where: short stacking energy: -3.008 Base-Backbone interact. energy: -0.000 local terms energy: -23.465492 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: 1.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -34.483715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.483715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.483715 (E_RNA) where: Base-Base interactions energy: -5.236 where: short stacking energy: -5.236 Base-Backbone interact. energy: -0.000 local terms energy: -29.247790 where: bonds (distance) C4'-P energy: -5.711 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -4.591 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: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -37.277135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.277135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.277135 (E_RNA) where: Base-Base interactions energy: -10.362 where: short stacking energy: -10.362 Base-Backbone interact. energy: -0.020 local terms energy: -26.894426 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -37.366211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.366211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.366211 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.000 local terms energy: -25.226802 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -37.242311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.242311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.242311 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.020 local terms energy: -25.527809 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -3.068 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: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -33.073017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.073017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.073017 (E_RNA) where: Base-Base interactions energy: -10.974 where: short stacking energy: -10.974 Base-Backbone interact. energy: -0.030 local terms energy: -22.068956 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -36.827412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827412 (E_RNA) where: Base-Base interactions energy: -8.574 where: short stacking energy: -8.574 Base-Backbone interact. energy: -0.001 local terms energy: -28.252204 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -28.154629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.154629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.154629 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -3.697 Base-Backbone interact. energy: -0.148 local terms energy: -20.012465 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -28.709543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709543 (E_RNA) where: Base-Base interactions energy: -6.515 where: short stacking energy: -6.515 Base-Backbone interact. energy: -0.098 local terms energy: -22.096356 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -27.508892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.508892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.508892 (E_RNA) where: Base-Base interactions energy: -5.873 where: short stacking energy: -5.873 Base-Backbone interact. energy: -0.022 local terms energy: -21.614205 where: bonds (distance) C4'-P energy: -1.634 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -4.263 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: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -31.815903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.815903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.815903 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -6.644 Base-Backbone interact. energy: -0.002 local terms energy: -22.501077 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -1.604 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -40.322559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.322559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.322559 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -13.292 Base-Backbone interact. energy: -0.038 local terms energy: -26.992659 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -44.977486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.977486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.977486 (E_RNA) where: Base-Base interactions energy: -14.886 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.082 local terms energy: -30.010029 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -4.739 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: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -35.865071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.865071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.865071 (E_RNA) where: Base-Base interactions energy: -6.450 where: short stacking energy: -6.450 Base-Backbone interact. energy: -0.037 local terms energy: -29.378604 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.805 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: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -32.237117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.237117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.237117 (E_RNA) where: Base-Base interactions energy: -7.908 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.009 local terms energy: -24.320337 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -4.716 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -35.865216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.865216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.865216 (E_RNA) where: Base-Base interactions energy: -10.110 where: short stacking energy: -10.181 Base-Backbone interact. energy: -0.065 local terms energy: -25.690720 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -31.120235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.120235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.120235 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.035 local terms energy: -20.461678 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: 2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -31.263202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.263202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.263202 (E_RNA) where: Base-Base interactions energy: -9.117 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.003 local terms energy: -22.143217 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -32.609652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.609652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.609652 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.043 local terms energy: -24.802435 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -0.049 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: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -27.956423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.956423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.956423 (E_RNA) where: Base-Base interactions energy: -3.327 where: short stacking energy: -3.329 Base-Backbone interact. energy: -0.000 local terms energy: -24.628516 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -29.546567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.546567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.546567 (E_RNA) where: Base-Base interactions energy: -3.515 where: short stacking energy: -3.515 Base-Backbone interact. energy: -0.022 local terms energy: -26.010005 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -44.188619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.188619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.188619 (E_RNA) where: Base-Base interactions energy: -15.034 where: short stacking energy: -15.034 Base-Backbone interact. energy: -0.000 local terms energy: -29.154201 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -32.841676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.841676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.841676 (E_RNA) where: Base-Base interactions energy: -6.505 where: short stacking energy: -5.702 Base-Backbone interact. energy: -0.009 local terms energy: -26.327475 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -40.594812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.594812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.594812 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.000 local terms energy: -25.094583 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -4.580 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: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -38.272146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272146 (E_RNA) where: Base-Base interactions energy: -10.032 where: short stacking energy: -10.032 Base-Backbone interact. energy: -0.020 local terms energy: -28.219796 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -3.785 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: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -31.833952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.833952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.833952 (E_RNA) where: Base-Base interactions energy: -7.386 where: short stacking energy: -7.386 Base-Backbone interact. energy: -0.096 local terms energy: -24.351887 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -1.654 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: 172 Temperature: 1.150000 Total energy: -32.199414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.199414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.199414 (E_RNA) where: Base-Base interactions energy: -9.896 where: short stacking energy: -9.896 Base-Backbone interact. energy: -0.072 local terms energy: -22.231653 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -32.874448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874448 (E_RNA) where: Base-Base interactions energy: -8.798 where: short stacking energy: -8.798 Base-Backbone interact. energy: -0.006 local terms energy: -24.070466 where: bonds (distance) C4'-P energy: -5.566 bonds (distance) P-C4' energy: -4.930 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -27.698886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.698886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.698886 (E_RNA) where: Base-Base interactions energy: -3.474 where: short stacking energy: -3.474 Base-Backbone interact. energy: -0.060 local terms energy: -24.164447 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -28.113190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.113190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.113190 (E_RNA) where: Base-Base interactions energy: -4.336 where: short stacking energy: -4.336 Base-Backbone interact. energy: -0.007 local terms energy: -23.770324 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.368 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: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -29.657002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.657002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.657002 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.008 local terms energy: -21.781301 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.261 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -43.564395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.564395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.564395 (E_RNA) where: Base-Base interactions energy: -14.785 where: short stacking energy: -14.785 Base-Backbone interact. energy: -0.000 local terms energy: -28.779071 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -4.902 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: 2 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -33.041245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.041245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.041245 (E_RNA) where: Base-Base interactions energy: -10.982 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.010 local terms energy: -22.048692 where: bonds (distance) C4'-P energy: -2.718 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -34.232590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.232590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.232590 (E_RNA) where: Base-Base interactions energy: -11.627 where: short stacking energy: -11.627 Base-Backbone interact. energy: -0.000 local terms energy: -22.605595 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -34.664443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.664443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.664443 (E_RNA) where: Base-Base interactions energy: -10.299 where: short stacking energy: -10.299 Base-Backbone interact. energy: 0.401 local terms energy: -24.765852 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -35.933999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.933999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.933999 (E_RNA) where: Base-Base interactions energy: -9.199 where: short stacking energy: -9.199 Base-Backbone interact. energy: -0.009 local terms energy: -26.726509 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.840 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: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -33.389183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.389183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.389183 (E_RNA) where: Base-Base interactions energy: -9.421 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.005 local terms energy: -23.963286 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -2.495 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -34.251557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.251557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.251557 (E_RNA) where: Base-Base interactions energy: -10.079 where: short stacking energy: -10.079 Base-Backbone interact. energy: -0.001 local terms energy: -24.171175 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -0.978 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: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -31.452808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.452808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.452808 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.014 local terms energy: -23.695788 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -3.201 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: 173 Temperature: 1.300000 Total energy: -31.361448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361448 (E_RNA) where: Base-Base interactions energy: -5.282 where: short stacking energy: -5.282 Base-Backbone interact. energy: -0.028 local terms energy: -26.051048 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -1.754 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: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -30.472185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.472185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.472185 (E_RNA) where: Base-Base interactions energy: -9.198 where: short stacking energy: -5.876 Base-Backbone interact. energy: -0.069 local terms energy: -21.205682 where: bonds (distance) C4'-P energy: -3.471 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -0.758 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: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -38.760079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.760079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.760079 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -12.418 Base-Backbone interact. energy: -0.009 local terms energy: -26.332953 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -37.562101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.562101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.562101 (E_RNA) where: Base-Base interactions energy: -11.598 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.014 local terms energy: -25.950304 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -33.613408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.613408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.613408 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.009 local terms energy: -25.964634 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.252 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: 174 Temperature: 1.050000 Total energy: -34.458289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.458289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.458289 (E_RNA) where: Base-Base interactions energy: -10.781 where: short stacking energy: -10.781 Base-Backbone interact. energy: -0.047 local terms energy: -23.630202 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -34.522065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.522065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.522065 (E_RNA) where: Base-Base interactions energy: -11.283 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.147 local terms energy: -23.092100 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.397 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: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -29.237994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.237994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.237994 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.240 local terms energy: -21.758944 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: 2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -31.612815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.612815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.612815 (E_RNA) where: Base-Base interactions energy: -9.035 where: short stacking energy: -9.035 Base-Backbone interact. energy: -0.012 local terms energy: -22.565788 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -31.215018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.215018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.215018 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -5.888 Base-Backbone interact. energy: -0.140 local terms energy: -25.186924 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.454 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: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -28.924155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.924155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.924155 (E_RNA) where: Base-Base interactions energy: -5.671 where: short stacking energy: -5.671 Base-Backbone interact. energy: -0.106 local terms energy: -23.147706 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -28.866501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866501 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -6.442 Base-Backbone interact. energy: -0.749 local terms energy: -21.675296 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: 0.167 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: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -44.394299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.394299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.394299 (E_RNA) where: Base-Base interactions energy: -14.516 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.011 local terms energy: -29.867479 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.904 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: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -36.101494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.101494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.101494 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -10.458 Base-Backbone interact. energy: 0.155 local terms energy: -21.003540 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -2.491 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -1.602 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: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -34.409269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.409269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.409269 (E_RNA) where: Base-Base interactions energy: -8.172 where: short stacking energy: -8.172 Base-Backbone interact. energy: -0.016 local terms energy: -26.221594 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -2.233 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: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -31.786648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.786648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.786648 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.000 local terms energy: -20.870915 where: bonds (distance) C4'-P energy: -3.968 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -34.816110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.816110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.816110 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.754 local terms energy: -24.766970 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -32.010505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.010505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.010505 (E_RNA) where: Base-Base interactions energy: -6.250 where: short stacking energy: -6.250 Base-Backbone interact. energy: -0.008 local terms energy: -25.752337 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -30.579032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.579032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.579032 (E_RNA) where: Base-Base interactions energy: -10.071 where: short stacking energy: -10.071 Base-Backbone interact. energy: -0.326 local terms energy: -20.181994 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -29.595772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.595772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.595772 (E_RNA) where: Base-Base interactions energy: -5.825 where: short stacking energy: -5.825 Base-Backbone interact. energy: -0.012 local terms energy: -23.758910 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.891 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -27.819755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.819755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.819755 (E_RNA) where: Base-Base interactions energy: -5.195 where: short stacking energy: -5.195 Base-Backbone interact. energy: -0.086 local terms energy: -22.538628 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -0.779 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: 175 Temperature: 1.350000 Total energy: -34.766026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.766026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.766026 (E_RNA) where: Base-Base interactions energy: -12.533 where: short stacking energy: -12.533 Base-Backbone interact. energy: -0.080 local terms energy: -22.153265 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -42.287902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.287902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.287902 (E_RNA) where: Base-Base interactions energy: -15.009 where: short stacking energy: -15.009 Base-Backbone interact. energy: -0.000 local terms energy: -27.278111 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -41.679129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.679129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.679129 (E_RNA) where: Base-Base interactions energy: -12.755 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.633 local terms energy: -28.291048 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -5.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -37.216840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.216840 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.047 local terms energy: -28.091819 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -31.130953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.130953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.130953 (E_RNA) where: Base-Base interactions energy: -6.851 where: short stacking energy: -6.851 Base-Backbone interact. energy: -0.009 local terms energy: -24.271202 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -0.205 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: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -32.151605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151605 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.014 local terms energy: -24.131684 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -29.593761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593761 (E_RNA) where: Base-Base interactions energy: -6.987 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.012 local terms energy: -22.594451 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: 1.140 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: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -30.832590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.832590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.832590 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -5.201 Base-Backbone interact. energy: 0.081 local terms energy: -23.321655 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -0.627 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -28.238729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.238729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.238729 (E_RNA) where: Base-Base interactions energy: -6.806 where: short stacking energy: -6.806 Base-Backbone interact. energy: -0.031 local terms energy: -21.402155 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: 0.506 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: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -28.927366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.927366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.927366 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.004 local terms energy: -21.643180 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: 1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -29.658070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.658070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.658070 (E_RNA) where: Base-Base interactions energy: -7.619 where: short stacking energy: -5.705 Base-Backbone interact. energy: -0.034 local terms energy: -22.005458 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: 1.041 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: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -44.024113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.024113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.024113 (E_RNA) where: Base-Base interactions energy: -15.637 where: short stacking energy: -15.637 Base-Backbone interact. energy: -0.022 local terms energy: -28.365591 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -36.083243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.083243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.083243 (E_RNA) where: Base-Base interactions energy: -12.013 where: short stacking energy: -12.013 Base-Backbone interact. energy: -0.000 local terms energy: -24.069826 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -1.675 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: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -32.707993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.707993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.707993 (E_RNA) where: Base-Base interactions energy: -4.733 where: short stacking energy: -3.245 Base-Backbone interact. energy: -0.054 local terms energy: -27.921058 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -35.895644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.895644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.895644 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.082 local terms energy: -24.468684 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -37.138647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.138647 (E_RNA) where: Base-Base interactions energy: -10.636 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.003 local terms energy: -26.498962 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -4.967 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: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -30.504838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.504838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.504838 (E_RNA) where: Base-Base interactions energy: -7.422 where: short stacking energy: -6.501 Base-Backbone interact. energy: -0.060 local terms energy: -23.023478 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -1.630 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -31.125443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125443 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.031 local terms energy: -20.303293 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -27.969488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.969488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.969488 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.131 local terms energy: -20.039597 where: bonds (distance) C4'-P energy: -4.850 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: 1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -28.656577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.656577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.656577 (E_RNA) where: Base-Base interactions energy: -5.821 where: short stacking energy: -5.219 Base-Backbone interact. energy: -0.114 local terms energy: -22.721066 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.294 flat angles C4'-P-C4' energy: -2.271 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -29.442743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.442743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.442743 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.108 local terms energy: -22.185584 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: 1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -40.077009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.077009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.077009 (E_RNA) where: Base-Base interactions energy: -12.553 where: short stacking energy: -12.553 Base-Backbone interact. energy: -0.001 local terms energy: -27.523043 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -3.576 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: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -41.046055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.046055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.046055 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.030 local terms energy: -27.373196 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -6.107 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: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -37.111095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111095 (E_RNA) where: Base-Base interactions energy: -11.861 where: short stacking energy: -11.817 Base-Backbone interact. energy: -0.703 local terms energy: -24.546856 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -1.493 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: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -35.025497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.025497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.025497 (E_RNA) where: Base-Base interactions energy: -10.987 where: short stacking energy: -10.987 Base-Backbone interact. energy: -0.065 local terms energy: -23.973816 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -39.749824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749824 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.000 local terms energy: -30.238155 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -30.786272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.786272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.786272 (E_RNA) where: Base-Base interactions energy: -10.715 where: short stacking energy: -10.715 Base-Backbone interact. energy: -0.001 local terms energy: -20.070454 where: bonds (distance) C4'-P energy: -4.676 bonds (distance) P-C4' energy: -4.244 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -29.219412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.219412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.219412 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.020 local terms energy: -21.527968 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.980 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: 0.525 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: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -28.344746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.344746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.344746 (E_RNA) where: Base-Base interactions energy: -6.102 where: short stacking energy: -6.102 Base-Backbone interact. energy: -0.035 local terms energy: -22.207337 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: 0.113 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -31.398993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.398993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.398993 (E_RNA) where: Base-Base interactions energy: -6.474 where: short stacking energy: -6.474 Base-Backbone interact. energy: -0.021 local terms energy: -24.904206 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -4.408 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: 6 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -27.111439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.111439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.111439 (E_RNA) where: Base-Base interactions energy: -3.601 where: short stacking energy: -3.601 Base-Backbone interact. energy: -0.035 local terms energy: -23.475535 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -0.245 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -36.923140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.923140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.923140 (E_RNA) where: Base-Base interactions energy: -9.649 where: short stacking energy: -9.649 Base-Backbone interact. energy: -0.003 local terms energy: -27.271111 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.068 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -6.210 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: 179 Temperature: 0.950000 Total energy: -41.604825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.604825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.604825 (E_RNA) where: Base-Base interactions energy: -13.382 where: short stacking energy: -13.382 Base-Backbone interact. energy: -0.002 local terms energy: -28.220597 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -3.096 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: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -36.253985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.253985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.253985 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.005 local terms energy: -24.905832 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -36.403464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.403464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.403464 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.000 local terms energy: -26.520535 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -34.690764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690764 (E_RNA) where: Base-Base interactions energy: -13.755 where: short stacking energy: -13.755 Base-Backbone interact. energy: -0.002 local terms energy: -20.933481 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.434 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: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -32.364176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.364176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.364176 (E_RNA) where: Base-Base interactions energy: -9.781 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.129 local terms energy: -22.454209 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -30.963407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.963407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.963407 (E_RNA) where: Base-Base interactions energy: -7.986 where: short stacking energy: -7.986 Base-Backbone interact. energy: -0.001 local terms energy: -22.976859 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.965 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: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -31.062533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.062533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.062533 (E_RNA) where: Base-Base interactions energy: -10.952 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.263 local terms energy: -19.848125 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -2.430 flat angles P-C4'-P energy: -0.532 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -28.582572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.582572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.582572 (E_RNA) where: Base-Base interactions energy: -3.428 where: short stacking energy: -1.918 Base-Backbone interact. energy: -0.324 local terms energy: -24.830080 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -26.874176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.874176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.874176 (E_RNA) where: Base-Base interactions energy: -6.057 where: short stacking energy: -6.057 Base-Backbone interact. energy: -0.041 local terms energy: -20.776624 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -40.621392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.621392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.621392 (E_RNA) where: Base-Base interactions energy: -14.277 where: short stacking energy: -14.277 Base-Backbone interact. energy: -0.000 local terms energy: -26.344717 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -2.023 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: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -36.613354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.613354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.613354 (E_RNA) where: Base-Base interactions energy: -11.794 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.061 local terms energy: -24.758495 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -5.870 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -36.771334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.771334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.771334 (E_RNA) where: Base-Base interactions energy: -11.989 where: short stacking energy: -11.989 Base-Backbone interact. energy: -0.011 local terms energy: -24.771722 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -1.881 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: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -34.009366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.009366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.009366 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.077 local terms energy: -24.434658 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -0.555 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: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -29.379700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.379700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.379700 (E_RNA) where: Base-Base interactions energy: -4.648 where: short stacking energy: -3.865 Base-Backbone interact. energy: -0.027 local terms energy: -24.705006 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -32.979628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.979628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.979628 (E_RNA) where: Base-Base interactions energy: -10.978 where: short stacking energy: -10.978 Base-Backbone interact. energy: -0.002 local terms energy: -22.000058 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -31.768637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.768637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.768637 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -2.042 Base-Backbone interact. energy: -0.070 local terms energy: -23.753182 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -1.454 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: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -28.663006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663006 (E_RNA) where: Base-Base interactions energy: -6.387 where: short stacking energy: -6.387 Base-Backbone interact. energy: 0.082 local terms energy: -22.358738 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: 1.751 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: 180 Temperature: 1.300000 Total energy: -31.643006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.643006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.643006 (E_RNA) where: Base-Base interactions energy: -5.783 where: short stacking energy: -5.783 Base-Backbone interact. energy: -0.011 local terms energy: -25.849751 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -29.661973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.661973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.661973 (E_RNA) where: Base-Base interactions energy: -4.763 where: short stacking energy: -4.763 Base-Backbone interact. energy: -0.005 local terms energy: -24.893378 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.397 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -43.071015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.071015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.071015 (E_RNA) where: Base-Base interactions energy: -14.974 where: short stacking energy: -14.974 Base-Backbone interact. energy: -0.002 local terms energy: -28.095416 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -3.465 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -34.310925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.310925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.310925 (E_RNA) where: Base-Base interactions energy: -9.720 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.091 local terms energy: -24.500761 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -2.454 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: 181 Temperature: 1.000000 Total energy: -37.944317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.944317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.944317 (E_RNA) where: Base-Base interactions energy: -11.540 where: short stacking energy: -6.133 Base-Backbone interact. energy: -0.100 local terms energy: -26.304760 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -34.885517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.885517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.885517 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.013 local terms energy: -27.478133 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -33.494980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.494980 (E_RNA) where: Base-Base interactions energy: -9.568 where: short stacking energy: -9.568 Base-Backbone interact. energy: -0.092 local terms energy: -23.835528 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: 0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -35.506135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.506135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.506135 (E_RNA) where: Base-Base interactions energy: -10.675 where: short stacking energy: -10.675 Base-Backbone interact. energy: -0.080 local terms energy: -24.751706 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -29.378734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378734 (E_RNA) where: Base-Base interactions energy: -8.370 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.175 local terms energy: -20.834158 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -30.839703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.839703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.839703 (E_RNA) where: Base-Base interactions energy: -4.819 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.031 local terms energy: -25.989493 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -34.678502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.678502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.678502 (E_RNA) where: Base-Base interactions energy: -11.128 where: short stacking energy: -11.128 Base-Backbone interact. energy: -0.050 local terms energy: -23.499820 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -3.058 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -28.356404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.356404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.356404 (E_RNA) where: Base-Base interactions energy: -3.702 where: short stacking energy: -3.702 Base-Backbone interact. energy: -0.826 local terms energy: -23.828560 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: 1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -36.201192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.201192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.201192 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -6.488 Base-Backbone interact. energy: -0.006 local terms energy: -25.279820 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -4.137 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -3.397 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: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -39.791227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.791227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.791227 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.002 local terms energy: -29.396123 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -33.437345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.437345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.437345 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: 0.765 local terms energy: -26.558259 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -0.805 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: 182 Temperature: 1.050000 Total energy: -35.592084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592084 (E_RNA) where: Base-Base interactions energy: -11.647 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.000 local terms energy: -23.944825 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -3.199 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: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -36.419042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419042 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: 0.179 local terms energy: -25.881912 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -0.436 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: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -32.558703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558703 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.039 local terms energy: -24.284948 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -31.745412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745412 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.507 Base-Backbone interact. energy: -0.002 local terms energy: -25.237056 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -30.861781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861781 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.840 Base-Backbone interact. energy: -0.032 local terms energy: -18.989884 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: 2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -30.141462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141462 (E_RNA) where: Base-Base interactions energy: -6.214 where: short stacking energy: -6.214 Base-Backbone interact. energy: -0.166 local terms energy: -23.761340 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -32.348349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.348349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.348349 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.026 local terms energy: -24.852546 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.992 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: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -44.830697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.830697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.830697 (E_RNA) where: Base-Base interactions energy: -12.853 where: short stacking energy: -12.853 Base-Backbone interact. energy: -0.000 local terms energy: -31.977228 where: bonds (distance) C4'-P energy: -6.704 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -34.981274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.981274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.981274 (E_RNA) where: Base-Base interactions energy: -8.243 where: short stacking energy: -8.243 Base-Backbone interact. energy: -0.155 local terms energy: -26.583018 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -39.438838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.438838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.438838 (E_RNA) where: Base-Base interactions energy: -14.026 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.001 local terms energy: -25.412430 where: bonds (distance) C4'-P energy: -5.865 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -4.823 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: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -33.154334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154334 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.121 local terms energy: -21.691061 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -1.535 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -33.361801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.361801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.361801 (E_RNA) where: Base-Base interactions energy: -13.786 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.225 local terms energy: -19.351175 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.925 flat angles C4'-P-C4' energy: -3.473 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -33.699834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.699834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.699834 (E_RNA) where: Base-Base interactions energy: -10.911 where: short stacking energy: -10.911 Base-Backbone interact. energy: -0.007 local terms energy: -22.781671 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.107 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: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -31.453130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.453130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.453130 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.000 local terms energy: -22.918398 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -0.590 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -32.758759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758759 (E_RNA) where: Base-Base interactions energy: -5.542 where: short stacking energy: -5.542 Base-Backbone interact. energy: -0.891 local terms energy: -26.325856 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -30.021299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.021299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.021299 (E_RNA) where: Base-Base interactions energy: -6.895 where: short stacking energy: -6.895 Base-Backbone interact. energy: -0.050 local terms energy: -23.075651 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -36.244726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.244726 (E_RNA) where: Base-Base interactions energy: -13.615 where: short stacking energy: -12.476 Base-Backbone interact. energy: -0.007 local terms energy: -22.622934 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -2.131 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: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -39.915803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.915803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.915803 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.002 local terms energy: -25.753258 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -37.435399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.435399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.435399 (E_RNA) where: Base-Base interactions energy: -11.088 where: short stacking energy: -11.088 Base-Backbone interact. energy: -0.015 local terms energy: -26.332535 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -2.213 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: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -36.682982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.682982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.682982 (E_RNA) where: Base-Base interactions energy: -11.032 where: short stacking energy: -11.032 Base-Backbone interact. energy: -0.003 local terms energy: -25.647979 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -32.701679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701679 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.057 local terms energy: -25.737419 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -33.247996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.247996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.247996 (E_RNA) where: Base-Base interactions energy: -9.172 where: short stacking energy: -9.172 Base-Backbone interact. energy: -0.003 local terms energy: -24.073405 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -2.535 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: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -34.615642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.615642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.615642 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.033 local terms energy: -26.524270 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -31.328265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.328265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.328265 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.081 local terms energy: -22.968889 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: 1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -27.487519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.487519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.487519 (E_RNA) where: Base-Base interactions energy: -4.095 where: short stacking energy: -4.095 Base-Backbone interact. energy: -0.071 local terms energy: -23.321922 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -1.494 tors. eta vs tors. theta energy: -2.504 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: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -30.580724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.580724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.580724 (E_RNA) where: Base-Base interactions energy: -4.900 where: short stacking energy: -4.900 Base-Backbone interact. energy: -0.064 local terms energy: -25.616700 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -29.063195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.063195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.063195 (E_RNA) where: Base-Base interactions energy: -8.318 where: short stacking energy: -8.318 Base-Backbone interact. energy: -0.045 local terms energy: -20.700285 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: 0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -39.779279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.779279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.779279 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.091 local terms energy: -28.479440 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -38.021031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021031 (E_RNA) where: Base-Base interactions energy: -11.176 where: short stacking energy: -11.176 Base-Backbone interact. energy: -0.000 local terms energy: -26.844826 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -36.486069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.486069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.486069 (E_RNA) where: Base-Base interactions energy: -11.746 where: short stacking energy: -11.746 Base-Backbone interact. energy: -0.017 local terms energy: -24.722878 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -30.420837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.420837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.420837 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.267 local terms energy: -22.846965 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: 0.735 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: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -33.757334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757334 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.058 local terms energy: -25.999118 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -40.074631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.074631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.074631 (E_RNA) where: Base-Base interactions energy: -14.303 where: short stacking energy: -13.375 Base-Backbone interact. energy: -0.008 local terms energy: -25.764225 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -3.715 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: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -28.670967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.670967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.670967 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.067 local terms energy: -21.438368 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -0.786 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: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -32.141276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.141276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.141276 (E_RNA) where: Base-Base interactions energy: -8.420 where: short stacking energy: -8.420 Base-Backbone interact. energy: -0.003 local terms energy: -23.718455 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -0.699 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: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -26.285214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.285214 (E_RNA) where: Base-Base interactions energy: -3.209 where: short stacking energy: -3.209 Base-Backbone interact. energy: -0.041 local terms energy: -23.035121 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -0.186 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: 3 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -27.647547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.647547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.647547 (E_RNA) where: Base-Base interactions energy: -3.164 where: short stacking energy: -3.164 Base-Backbone interact. energy: -0.680 local terms energy: -23.803646 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -36.445714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.445714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.445714 (E_RNA) where: Base-Base interactions energy: -10.952 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.001 local terms energy: -25.493582 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -34.681168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.681168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.681168 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -9.964 Base-Backbone interact. energy: -0.185 local terms energy: -24.532413 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -33.687670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.687670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.687670 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.094 local terms energy: -24.147746 where: bonds (distance) C4'-P energy: -4.916 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -31.864113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.864113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.864113 (E_RNA) where: Base-Base interactions energy: -9.693 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.043 local terms energy: -22.128447 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -2.429 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: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -29.783086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.783086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.783086 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.027 local terms energy: -18.980816 where: bonds (distance) C4'-P energy: -4.112 bonds (distance) P-C4' energy: -6.003 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: 1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -30.660948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.660948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.660948 (E_RNA) where: Base-Base interactions energy: -9.577 where: short stacking energy: -9.577 Base-Backbone interact. energy: -0.003 local terms energy: -21.080941 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -2.444 flat angles P-C4'-P energy: -3.722 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: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -34.524196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524196 (E_RNA) where: Base-Base interactions energy: -11.711 where: short stacking energy: -11.711 Base-Backbone interact. energy: -0.000 local terms energy: -22.813129 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -27.689723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.689723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.689723 (E_RNA) where: Base-Base interactions energy: -6.407 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.000 local terms energy: -21.282857 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.473 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: 1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -30.777940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.777940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.777940 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.167 local terms energy: -22.519493 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -5.989 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -1.171 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: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -31.970579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.970579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.970579 (E_RNA) where: Base-Base interactions energy: -9.892 where: short stacking energy: -9.892 Base-Backbone interact. energy: -0.000 local terms energy: -22.078173 where: bonds (distance) C4'-P energy: -4.465 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -1.833 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: 187 Temperature: 0.900000 Total energy: -36.089779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.089779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.089779 (E_RNA) where: Base-Base interactions energy: -9.094 where: short stacking energy: -8.725 Base-Backbone interact. energy: -0.297 local terms energy: -26.698770 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -41.728905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.728905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.728905 (E_RNA) where: Base-Base interactions energy: -14.872 where: short stacking energy: -14.872 Base-Backbone interact. energy: -0.103 local terms energy: -26.753893 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -2.588 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -39.358774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.358774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.358774 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.000 local terms energy: -28.644616 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -38.992358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.992358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.992358 (E_RNA) where: Base-Base interactions energy: -14.480 where: short stacking energy: -14.480 Base-Backbone interact. energy: -0.024 local terms energy: -24.488017 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: -3.129 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: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -32.664465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.664465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.664465 (E_RNA) where: Base-Base interactions energy: -10.336 where: short stacking energy: -10.336 Base-Backbone interact. energy: -0.006 local terms energy: -22.322470 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: 0.265 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: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -31.918363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.918363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.918363 (E_RNA) where: Base-Base interactions energy: -9.306 where: short stacking energy: -9.306 Base-Backbone interact. energy: -0.675 local terms energy: -21.936978 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -31.036738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.036738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.036738 (E_RNA) where: Base-Base interactions energy: -6.227 where: short stacking energy: -6.227 Base-Backbone interact. energy: -0.002 local terms energy: -24.807729 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -2.666 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: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -28.606186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606186 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.101 Base-Backbone interact. energy: -0.050 local terms energy: -20.557516 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -28.030987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.030987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.030987 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.000 local terms energy: -21.416653 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -29.402973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.402973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.402973 (E_RNA) where: Base-Base interactions energy: -7.058 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.030 local terms energy: -22.315569 where: bonds (distance) C4'-P energy: -3.310 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -37.412280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.412280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.412280 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -9.710 Base-Backbone interact. energy: -0.036 local terms energy: -26.347007 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -34.358163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.358163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.358163 (E_RNA) where: Base-Base interactions energy: -9.187 where: short stacking energy: -9.187 Base-Backbone interact. energy: -0.098 local terms energy: -25.073332 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -32.939173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939173 (E_RNA) where: Base-Base interactions energy: -5.208 where: short stacking energy: -5.208 Base-Backbone interact. energy: -0.092 local terms energy: -27.638619 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -34.841258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.841258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.841258 (E_RNA) where: Base-Base interactions energy: -10.406 where: short stacking energy: -10.406 Base-Backbone interact. energy: -0.041 local terms energy: -24.394411 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -33.306535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.306535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.306535 (E_RNA) where: Base-Base interactions energy: -11.101 where: short stacking energy: -11.101 Base-Backbone interact. energy: -0.011 local terms energy: -22.194962 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -1.352 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: 188 Temperature: 1.150000 Total energy: -30.940675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.940675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.940675 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.925 local terms energy: -22.441458 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -0.959 tors. eta vs tors. theta energy: -2.038 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: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -30.640499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.640499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.640499 (E_RNA) where: Base-Base interactions energy: -8.497 where: short stacking energy: -8.497 Base-Backbone interact. energy: 0.058 local terms energy: -22.201602 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.237 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: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -28.148053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.148053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.148053 (E_RNA) where: Base-Base interactions energy: -7.834 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.522 local terms energy: -19.792367 where: bonds (distance) C4'-P energy: -1.103 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -33.176132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.176132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.176132 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.014 local terms energy: -22.371789 where: bonds (distance) C4'-P energy: -3.455 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -30.421119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.421119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.421119 (E_RNA) where: Base-Base interactions energy: -6.329 where: short stacking energy: -6.329 Base-Backbone interact. energy: -0.001 local terms energy: -24.091351 where: bonds (distance) C4'-P energy: -5.069 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -40.542222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.542222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.542222 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.385 local terms energy: -29.414305 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -5.716 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: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -36.294609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.294609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.294609 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.553 Base-Backbone interact. energy: -0.410 local terms energy: -27.431822 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -30.818651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818651 (E_RNA) where: Base-Base interactions energy: -6.921 where: short stacking energy: -6.921 Base-Backbone interact. energy: -0.514 local terms energy: -23.383406 where: bonds (distance) C4'-P energy: -4.957 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -32.211635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.211635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.211635 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.002 local terms energy: -24.886074 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -2.095 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: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -31.161311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.161311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.161311 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.008 local terms energy: -23.837408 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -1.717 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -30.276170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.276170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.276170 (E_RNA) where: Base-Base interactions energy: -6.286 where: short stacking energy: -6.286 Base-Backbone interact. energy: -0.106 local terms energy: -23.884271 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.070 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: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -29.029244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029244 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.289 local terms energy: -20.905403 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -30.122499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.122499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.122499 (E_RNA) where: Base-Base interactions energy: -6.267 where: short stacking energy: -6.267 Base-Backbone interact. energy: -1.053 local terms energy: -22.802457 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -2.575 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -32.400425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.400425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.400425 (E_RNA) where: Base-Base interactions energy: -9.382 where: short stacking energy: -9.382 Base-Backbone interact. energy: -0.034 local terms energy: -22.984363 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: -2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -29.247465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.247465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.247465 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.072 local terms energy: -25.327777 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: 0.667 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: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -37.441335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.441335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.441335 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -9.984 Base-Backbone interact. energy: -0.519 local terms energy: -26.602533 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -4.587 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: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -39.551069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.551069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.551069 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.001 local terms energy: -26.784175 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -4.551 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: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -33.973267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.973267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.973267 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.006 local terms energy: -22.057145 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -1.417 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -34.814974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.814974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.814974 (E_RNA) where: Base-Base interactions energy: -8.430 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.174 local terms energy: -26.210822 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -5.774 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -34.609772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.609772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.609772 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.005 local terms energy: -27.256853 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -29.627364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.627364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.627364 (E_RNA) where: Base-Base interactions energy: -4.874 where: short stacking energy: -4.765 Base-Backbone interact. energy: -0.096 local terms energy: -24.657321 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -1.589 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -32.564018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.564018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.564018 (E_RNA) where: Base-Base interactions energy: -6.839 where: short stacking energy: -6.958 Base-Backbone interact. energy: -0.000 local terms energy: -25.725178 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -25.766048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.766048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.766048 (E_RNA) where: Base-Base interactions energy: -5.325 where: short stacking energy: -5.325 Base-Backbone interact. energy: -0.064 local terms energy: -20.376702 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -28.007429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.007429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.007429 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.001 local terms energy: -20.842711 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -0.955 tors. eta vs tors. theta energy: -2.054 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -30.186985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186985 (E_RNA) where: Base-Base interactions energy: -6.346 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.000 local terms energy: -23.840972 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -2.819 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: 191 Temperature: 0.900000 Total energy: -38.640392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.640392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.640392 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.000 local terms energy: -27.611698 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -37.232854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.232854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.232854 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.029 local terms energy: -27.584675 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -33.498648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.498648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.498648 (E_RNA) where: Base-Base interactions energy: -8.468 where: short stacking energy: -8.468 Base-Backbone interact. energy: -0.066 local terms energy: -24.964573 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.834 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: 4, replica: 5 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -38.133849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.133849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.133849 (E_RNA) where: Base-Base interactions energy: -10.762 where: short stacking energy: -10.762 Base-Backbone interact. energy: -0.060 local terms energy: -27.312184 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -1.660 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: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -31.772708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.772708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.772708 (E_RNA) where: Base-Base interactions energy: -8.248 where: short stacking energy: -8.248 Base-Backbone interact. energy: -0.001 local terms energy: -23.524027 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: 1.377 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: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -36.919298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.919298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.919298 (E_RNA) where: Base-Base interactions energy: -10.753 where: short stacking energy: -10.753 Base-Backbone interact. energy: -0.019 local terms energy: -26.147466 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.030 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -3.983 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: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -33.729902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.729902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.729902 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.000 local terms energy: -19.703288 where: bonds (distance) C4'-P energy: -2.329 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -1.271 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -35.421300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.421300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.421300 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.044 local terms energy: -24.098485 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -31.786830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.786830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.786830 (E_RNA) where: Base-Base interactions energy: -2.739 where: short stacking energy: -2.739 Base-Backbone interact. energy: -1.688 local terms energy: -27.359412 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -31.414616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414616 (E_RNA) where: Base-Base interactions energy: -7.641 where: short stacking energy: -7.641 Base-Backbone interact. energy: -0.098 local terms energy: -23.675149 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -39.540691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.540691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.540691 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.081 local terms energy: -28.292047 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -35.840040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.840040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.840040 (E_RNA) where: Base-Base interactions energy: -7.630 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.156 local terms energy: -28.053817 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -37.037542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.037542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.037542 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.937 local terms energy: -24.676700 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -31.849286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849286 (E_RNA) where: Base-Base interactions energy: -5.507 where: short stacking energy: -5.507 Base-Backbone interact. energy: -0.030 local terms energy: -26.312119 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -0.316 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: 192 Temperature: 1.100000 Total energy: -28.620761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.620761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.620761 (E_RNA) where: Base-Base interactions energy: -4.971 where: short stacking energy: -5.670 Base-Backbone interact. energy: -0.127 local terms energy: -23.522463 where: bonds (distance) C4'-P energy: -4.183 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: 0.630 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: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -31.015816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015816 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.001 local terms energy: -23.541517 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -37.450419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.450419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.450419 (E_RNA) where: Base-Base interactions energy: -11.584 where: short stacking energy: -11.584 Base-Backbone interact. energy: -0.001 local terms energy: -25.865206 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -3.323 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: 192 Temperature: 1.250000 Total energy: -26.855954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.855954 (E_RNA) where: Base-Base interactions energy: -6.750 where: short stacking energy: -6.750 Base-Backbone interact. energy: -0.000 local terms energy: -20.105556 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -0.190 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: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -30.009152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.009152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.009152 (E_RNA) where: Base-Base interactions energy: -6.315 where: short stacking energy: -6.315 Base-Backbone interact. energy: -0.017 local terms energy: -23.676908 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.155 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -1.737 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: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -27.152366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.152366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.152366 (E_RNA) where: Base-Base interactions energy: -5.019 where: short stacking energy: -3.766 Base-Backbone interact. energy: -0.097 local terms energy: -22.037007 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: 1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -41.156326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.156326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.156326 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: 1.105 local terms energy: -29.569759 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -36.552959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552959 (E_RNA) where: Base-Base interactions energy: -12.392 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.078 local terms energy: -24.082881 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -35.291263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.291263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.291263 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.001 local terms energy: -21.689849 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -2.074 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: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -34.689194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.689194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.689194 (E_RNA) where: Base-Base interactions energy: -10.485 where: short stacking energy: -10.417 Base-Backbone interact. energy: 0.024 local terms energy: -24.227857 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -1.465 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: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -35.000907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.000907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.000907 (E_RNA) where: Base-Base interactions energy: -12.563 where: short stacking energy: -12.563 Base-Backbone interact. energy: -0.000 local terms energy: -22.438014 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -0.902 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -35.598300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.598300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.598300 (E_RNA) where: Base-Base interactions energy: -12.549 where: short stacking energy: -12.549 Base-Backbone interact. energy: -0.009 local terms energy: -23.040237 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -4.239 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: 7, replica: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -31.128285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.128285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.128285 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -7.649 Base-Backbone interact. energy: -0.002 local terms energy: -23.476572 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -3.204 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: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -33.828794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.828794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.828794 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.053 local terms energy: -23.358025 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -6.056 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: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -26.766975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.766975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.766975 (E_RNA) where: Base-Base interactions energy: -5.730 where: short stacking energy: -5.730 Base-Backbone interact. energy: -0.002 local terms energy: -21.035193 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: 2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -28.568347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.568347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.568347 (E_RNA) where: Base-Base interactions energy: -1.844 where: short stacking energy: -1.844 Base-Backbone interact. energy: 0.878 local terms energy: -27.601813 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -2.929 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: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -36.006451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.006451 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.009 local terms energy: -25.236317 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -4.471 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: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -34.575721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.575721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.575721 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.122 local terms energy: -26.255608 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -1.179 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: 194 Temperature: 1.000000 Total energy: -31.864399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.864399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.864399 (E_RNA) where: Base-Base interactions energy: -6.695 where: short stacking energy: -6.621 Base-Backbone interact. energy: -0.032 local terms energy: -25.137669 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -33.315395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315395 (E_RNA) where: Base-Base interactions energy: -10.880 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.000 local terms energy: -22.435731 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -33.620535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620535 (E_RNA) where: Base-Base interactions energy: -8.921 where: short stacking energy: -8.921 Base-Backbone interact. energy: -0.006 local terms energy: -24.694010 where: bonds (distance) C4'-P energy: -5.504 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -29.299640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.299640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.299640 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.086 local terms energy: -22.477789 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: 0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -30.491940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.491940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.491940 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.076 local terms energy: -22.102495 where: bonds (distance) C4'-P energy: -4.722 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -2.226 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: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -30.359661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359661 (E_RNA) where: Base-Base interactions energy: -10.472 where: short stacking energy: -10.472 Base-Backbone interact. energy: -0.012 local terms energy: -19.876381 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -4.934 flat angles C4'-P-C4' energy: -2.594 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -2.228 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: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -26.466804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.466804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.466804 (E_RNA) where: Base-Base interactions energy: -9.655 where: short stacking energy: -8.301 Base-Backbone interact. energy: -0.011 local terms energy: -16.801392 where: bonds (distance) C4'-P energy: -4.291 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -1.335 tors. eta vs tors. theta energy: 0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -27.585518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.585518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.585518 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.000 local terms energy: -21.792892 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -34.307950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.307950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.307950 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -10.266 Base-Backbone interact. energy: -0.075 local terms energy: -23.966942 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.051 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -43.505147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.505147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.505147 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.000 local terms energy: -30.421232 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -36.879629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.879629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.879629 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.000 local terms energy: -26.662145 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -34.951628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.951628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.951628 (E_RNA) where: Base-Base interactions energy: -11.668 where: short stacking energy: -11.668 Base-Backbone interact. energy: -0.120 local terms energy: -23.164305 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.062 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: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -35.709780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.709780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.709780 (E_RNA) where: Base-Base interactions energy: -13.482 where: short stacking energy: -13.482 Base-Backbone interact. energy: -0.140 local terms energy: -22.087566 where: bonds (distance) C4'-P energy: -4.403 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.772 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -2.988 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: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -30.867836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.867836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.867836 (E_RNA) where: Base-Base interactions energy: -5.806 where: short stacking energy: -5.806 Base-Backbone interact. energy: -0.261 local terms energy: -24.800960 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -0.791 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: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -30.660933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.660933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.660933 (E_RNA) where: Base-Base interactions energy: -5.410 where: short stacking energy: -5.410 Base-Backbone interact. energy: -0.000 local terms energy: -25.250335 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -31.701302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.701302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.701302 (E_RNA) where: Base-Base interactions energy: -5.339 where: short stacking energy: -5.123 Base-Backbone interact. energy: -0.069 local terms energy: -26.293164 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -30.178263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.178263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.178263 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.097 local terms energy: -21.038450 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -29.504949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.504949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.504949 (E_RNA) where: Base-Base interactions energy: -2.278 where: short stacking energy: -1.483 Base-Backbone interact. energy: -0.908 local terms energy: -26.319216 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -2.063 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: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -41.178934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.178934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.178934 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -13.323 Base-Backbone interact. energy: -0.099 local terms energy: -27.756784 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -35.936381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.936381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.936381 (E_RNA) where: Base-Base interactions energy: -11.131 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.022 local terms energy: -24.782766 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -35.721269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721269 (E_RNA) where: Base-Base interactions energy: -11.229 where: short stacking energy: -11.229 Base-Backbone interact. energy: -0.035 local terms energy: -24.456665 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -35.233612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.233612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.233612 (E_RNA) where: Base-Base interactions energy: -8.325 where: short stacking energy: -8.325 Base-Backbone interact. energy: -1.213 local terms energy: -25.695736 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -34.764441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.764441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.764441 (E_RNA) where: Base-Base interactions energy: -10.496 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.122 local terms energy: -24.147283 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -41.955503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.955503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.955503 (E_RNA) where: Base-Base interactions energy: -15.385 where: short stacking energy: -15.385 Base-Backbone interact. energy: -0.004 local terms energy: -26.566026 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -5.052 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: 7, replica: 9 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -34.978440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978440 (E_RNA) where: Base-Base interactions energy: -13.047 where: short stacking energy: -13.047 Base-Backbone interact. energy: -0.030 local terms energy: -21.901205 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -30.594343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.594343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.594343 (E_RNA) where: Base-Base interactions energy: -5.297 where: short stacking energy: -5.297 Base-Backbone interact. energy: -0.000 local terms energy: -25.297142 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -0.542 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: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -28.839984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.839984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.839984 (E_RNA) where: Base-Base interactions energy: -6.136 where: short stacking energy: -6.136 Base-Backbone interact. energy: 0.359 local terms energy: -23.063537 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -0.665 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: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -25.297528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.297528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.297528 (E_RNA) where: Base-Base interactions energy: -5.632 where: short stacking energy: -5.732 Base-Backbone interact. energy: -0.048 local terms energy: -19.618104 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.277 flat angles P-C4'-P energy: -5.365 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: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -35.540406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.540406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.540406 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.000 local terms energy: -23.960202 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -5.622 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -34.169040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.169040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.169040 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -8.196 Base-Backbone interact. energy: 0.659 local terms energy: -26.832144 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -37.933136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.933136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.933136 (E_RNA) where: Base-Base interactions energy: -12.869 where: short stacking energy: -11.407 Base-Backbone interact. energy: -0.070 local terms energy: -24.993997 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -36.770145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770145 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.053 local terms energy: -24.829231 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -33.590186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.590186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.590186 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.119 local terms energy: -25.777240 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -1.700 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -35.335060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.335060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.335060 (E_RNA) where: Base-Base interactions energy: -9.001 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.733 local terms energy: -25.601199 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.941 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: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -31.196674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.196674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.196674 (E_RNA) where: Base-Base interactions energy: -7.737 where: short stacking energy: -7.737 Base-Backbone interact. energy: -0.007 local terms energy: -23.452362 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -1.307 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: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -31.173473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.173473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.173473 (E_RNA) where: Base-Base interactions energy: -8.638 where: short stacking energy: -8.638 Base-Backbone interact. energy: -0.015 local terms energy: -22.520616 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: 1.395 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: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -27.673970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673970 (E_RNA) where: Base-Base interactions energy: -3.662 where: short stacking energy: -3.662 Base-Backbone interact. energy: -0.032 local terms energy: -23.979323 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -28.956555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.956555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.956555 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.060 local terms energy: -21.998661 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -40.603781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.603781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.603781 (E_RNA) where: Base-Base interactions energy: -10.913 where: short stacking energy: -10.913 Base-Backbone interact. energy: -0.000 local terms energy: -29.690610 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -34.881814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881814 (E_RNA) where: Base-Base interactions energy: -6.595 where: short stacking energy: -6.595 Base-Backbone interact. energy: -0.056 local terms energy: -28.230699 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -34.082369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082369 (E_RNA) where: Base-Base interactions energy: -7.963 where: short stacking energy: -7.963 Base-Backbone interact. energy: -0.000 local terms energy: -26.119700 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.273 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: 198 Temperature: 1.050000 Total energy: -35.895464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.895464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.895464 (E_RNA) where: Base-Base interactions energy: -11.555 where: short stacking energy: -11.164 Base-Backbone interact. energy: -0.348 local terms energy: -23.992111 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -35.606476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.606476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.606476 (E_RNA) where: Base-Base interactions energy: -11.230 where: short stacking energy: -11.230 Base-Backbone interact. energy: -0.096 local terms energy: -24.280763 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -2.973 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: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -31.807448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.807448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.807448 (E_RNA) where: Base-Base interactions energy: -2.973 where: short stacking energy: -2.973 Base-Backbone interact. energy: -0.061 local terms energy: -28.772738 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -3.053 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: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -30.820663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.820663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.820663 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.006 local terms energy: -23.009757 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -4.796 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -2.397 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: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -30.070074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.070074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.070074 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.672 local terms energy: -21.286458 where: bonds (distance) C4'-P energy: -4.167 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -28.015103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.015103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.015103 (E_RNA) where: Base-Base interactions energy: -6.996 where: short stacking energy: -6.996 Base-Backbone interact. energy: -0.157 local terms energy: -20.862308 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -3.452 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -32.262889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.262889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.262889 (E_RNA) where: Base-Base interactions energy: -9.690 where: short stacking energy: -9.690 Base-Backbone interact. energy: -0.005 local terms energy: -22.567829 where: bonds (distance) C4'-P energy: -2.875 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -1.976 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: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -40.386564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.386564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.386564 (E_RNA) where: Base-Base interactions energy: -12.414 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.000 local terms energy: -27.972468 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -35.393327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.393327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.393327 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.504 local terms energy: -27.592045 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -38.019478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.019478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.019478 (E_RNA) where: Base-Base interactions energy: -13.386 where: short stacking energy: -13.386 Base-Backbone interact. energy: -0.056 local terms energy: -24.577807 where: bonds (distance) C4'-P energy: -1.666 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -34.500162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.500162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.500162 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.014 local terms energy: -26.382634 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -34.417225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.417225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.417225 (E_RNA) where: Base-Base interactions energy: -11.965 where: short stacking energy: -11.965 Base-Backbone interact. energy: -0.226 local terms energy: -22.226438 where: bonds (distance) C4'-P energy: -3.695 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -5.232 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: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -35.928211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.928211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.928211 (E_RNA) where: Base-Base interactions energy: -8.663 where: short stacking energy: -7.082 Base-Backbone interact. energy: -0.081 local terms energy: -27.184537 where: bonds (distance) C4'-P energy: -3.703 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -35.113289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.113289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.113289 (E_RNA) where: Base-Base interactions energy: -7.391 where: short stacking energy: -7.391 Base-Backbone interact. energy: -0.098 local terms energy: -27.623793 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -32.958000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.958000 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.005 local terms energy: -25.757325 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -2.870 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: 199 Temperature: 1.300000 Total energy: -31.841392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.841392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.841392 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.012 local terms energy: -21.314432 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -27.914819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.914819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.914819 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.048 local terms energy: -20.910585 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: 1.464 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: 200 Temperature: 0.900000 Total energy: -37.506621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.506621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.506621 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.264 local terms energy: -25.841591 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -1.622 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: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -37.859050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.859050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.859050 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.000 local terms energy: -24.908254 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.164 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: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -41.482263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.482263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.482263 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.001 local terms energy: -30.190796 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -4.621 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: 200 Temperature: 1.050000 Total energy: -34.502209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.502209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.502209 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.085 local terms energy: -26.033605 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -0.912 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: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -32.667229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.667229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.667229 (E_RNA) where: Base-Base interactions energy: -9.936 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.000 local terms energy: -22.731258 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -0.352 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: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -31.360295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.360295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.360295 (E_RNA) where: Base-Base interactions energy: -10.266 where: short stacking energy: -8.754 Base-Backbone interact. energy: -0.010 local terms energy: -21.085066 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -31.632522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.632522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.632522 (E_RNA) where: Base-Base interactions energy: -7.844 where: short stacking energy: -7.844 Base-Backbone interact. energy: -0.095 local terms energy: -23.693912 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: 0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -33.134536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134536 (E_RNA) where: Base-Base interactions energy: -6.542 where: short stacking energy: -6.542 Base-Backbone interact. energy: -0.007 local terms energy: -26.585098 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -29.810162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.810162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.810162 (E_RNA) where: Base-Base interactions energy: -9.116 where: short stacking energy: -9.116 Base-Backbone interact. energy: -0.100 local terms energy: -20.593640 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -1.886 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -30.384506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.384506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.384506 (E_RNA) where: Base-Base interactions energy: -6.379 where: short stacking energy: -6.379 Base-Backbone interact. energy: -0.012 local terms energy: -23.993566 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -4.400 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -0.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -38.448584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.448584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.448584 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.049 local terms energy: -24.766084 where: bonds (distance) C4'-P energy: -2.308 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -4.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -31.910815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.910815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.910815 (E_RNA) where: Base-Base interactions energy: -6.901 where: short stacking energy: -6.871 Base-Backbone interact. energy: -0.087 local terms energy: -24.922346 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -35.472294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.472294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.472294 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.058 local terms energy: -28.410434 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -32.488921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.488921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.488921 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.082 local terms energy: -24.324770 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -5.057 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: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -35.986187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.986187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.986187 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.001 local terms energy: -23.831733 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -1.827 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: 4 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -31.400583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.400583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.400583 (E_RNA) where: Base-Base interactions energy: -6.980 where: short stacking energy: -4.858 Base-Backbone interact. energy: -0.000 local terms energy: -24.420277 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -32.031170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.031170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.031170 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.073 local terms energy: -24.473688 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -37.960187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.960187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.960187 (E_RNA) where: Base-Base interactions energy: -10.844 where: short stacking energy: -9.660 Base-Backbone interact. energy: -1.055 local terms energy: -26.060703 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -4.584 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: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -29.038384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.038384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.038384 (E_RNA) where: Base-Base interactions energy: -4.031 where: short stacking energy: -2.039 Base-Backbone interact. energy: -0.376 local terms energy: -24.631132 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -32.668576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668576 (E_RNA) where: Base-Base interactions energy: -8.712 where: short stacking energy: -8.712 Base-Backbone interact. energy: -0.251 local terms energy: -23.705900 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -1.978 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: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -36.702951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702951 (E_RNA) where: Base-Base interactions energy: -10.513 where: short stacking energy: -7.786 Base-Backbone interact. energy: -0.052 local terms energy: -26.137729 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -5.325 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: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -42.047673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.047673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.047673 (E_RNA) where: Base-Base interactions energy: -16.134 where: short stacking energy: -16.134 Base-Backbone interact. energy: -0.002 local terms energy: -25.912124 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -35.025678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.025678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.025678 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.029 local terms energy: -24.279891 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.711 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: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -34.495988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.495988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.495988 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -7.105 Base-Backbone interact. energy: -0.010 local terms energy: -26.231259 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -4.010 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: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -38.054223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.054223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.054223 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.046 local terms energy: -23.199202 where: bonds (distance) C4'-P energy: -4.179 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -33.968685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968685 (E_RNA) where: Base-Base interactions energy: -9.584 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.017 local terms energy: -24.367182 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -4.135 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: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -31.704865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.704865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.704865 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.050 local terms energy: -24.006983 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -2.128 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -26.850965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.850965 (E_RNA) where: Base-Base interactions energy: -5.560 where: short stacking energy: -6.060 Base-Backbone interact. energy: -1.369 local terms energy: -19.922670 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -5.621 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -27.778974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.778974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.778974 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.045 local terms energy: -19.642468 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -26.443574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.443574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.443574 (E_RNA) where: Base-Base interactions energy: -10.078 where: short stacking energy: -9.132 Base-Backbone interact. energy: -0.305 local terms energy: -16.060205 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.556 flat angles P-C4'-P energy: -0.557 tors. eta vs tors. theta energy: 0.530 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: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -39.280353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.280353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.280353 (E_RNA) where: Base-Base interactions energy: -12.029 where: short stacking energy: -12.029 Base-Backbone interact. energy: -0.000 local terms energy: -27.251003 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -35.788544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.788544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.788544 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -1.831 local terms energy: -26.181473 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -40.582205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582205 (E_RNA) where: Base-Base interactions energy: -14.784 where: short stacking energy: -14.784 Base-Backbone interact. energy: -0.000 local terms energy: -25.798490 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -33.438310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.438310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.438310 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.002 local terms energy: -23.581474 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -35.480985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480985 (E_RNA) where: Base-Base interactions energy: -11.045 where: short stacking energy: -7.737 Base-Backbone interact. energy: -1.225 local terms energy: -23.210610 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -1.684 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: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -40.009489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.009489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.009489 (E_RNA) where: Base-Base interactions energy: -12.475 where: short stacking energy: -12.475 Base-Backbone interact. energy: -0.000 local terms energy: -27.534070 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -35.518520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.518520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.518520 (E_RNA) where: Base-Base interactions energy: -9.184 where: short stacking energy: -9.184 Base-Backbone interact. energy: -0.000 local terms energy: -26.334788 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -30.899704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.899704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.899704 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.054 local terms energy: -23.519721 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: 0.039 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: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -29.924295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.924295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.924295 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: -0.099 local terms energy: -23.321546 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -27.377079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377079 (E_RNA) where: Base-Base interactions energy: -2.974 where: short stacking energy: -2.974 Base-Backbone interact. energy: -0.001 local terms energy: -24.402877 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -4.689 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: 2 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -40.540645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.540645 (E_RNA) where: Base-Base interactions energy: -14.325 where: short stacking energy: -14.325 Base-Backbone interact. energy: -0.061 local terms energy: -26.154624 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -2.276 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -35.055474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.055474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.055474 (E_RNA) where: Base-Base interactions energy: -10.449 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.082 local terms energy: -24.524575 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -0.593 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: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -33.569775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.569775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.569775 (E_RNA) where: Base-Base interactions energy: -8.473 where: short stacking energy: -8.473 Base-Backbone interact. energy: -0.002 local terms energy: -25.093889 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -34.498560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.498560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.498560 (E_RNA) where: Base-Base interactions energy: -8.110 where: short stacking energy: -8.110 Base-Backbone interact. energy: -0.043 local terms energy: -26.345259 where: bonds (distance) C4'-P energy: -6.150 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -33.093092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.093092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.093092 (E_RNA) where: Base-Base interactions energy: -7.987 where: short stacking energy: -7.987 Base-Backbone interact. energy: -0.000 local terms energy: -25.105863 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -29.993341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.993341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.993341 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.066 local terms energy: -22.411139 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -32.752413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.752413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.752413 (E_RNA) where: Base-Base interactions energy: -11.396 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.117 local terms energy: -21.238844 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -28.779494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.779494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.779494 (E_RNA) where: Base-Base interactions energy: -7.101 where: short stacking energy: -7.101 Base-Backbone interact. energy: -0.078 local terms energy: -21.600239 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: 1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -28.059987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.059987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.059987 (E_RNA) where: Base-Base interactions energy: -4.340 where: short stacking energy: -4.340 Base-Backbone interact. energy: -0.180 local terms energy: -23.539815 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: 0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -29.256601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.256601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.256601 (E_RNA) where: Base-Base interactions energy: -6.114 where: short stacking energy: -6.114 Base-Backbone interact. energy: -0.079 local terms energy: -23.063434 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.750 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -0.667 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: 1, replica: 2 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -39.054277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.054277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.054277 (E_RNA) where: Base-Base interactions energy: -9.431 where: short stacking energy: -9.431 Base-Backbone interact. energy: -0.003 local terms energy: -29.620674 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -34.658387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.658387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.658387 (E_RNA) where: Base-Base interactions energy: -9.008 where: short stacking energy: -9.008 Base-Backbone interact. energy: -0.164 local terms energy: -25.485548 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -2.008 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: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -38.565573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.565573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.565573 (E_RNA) where: Base-Base interactions energy: -11.494 where: short stacking energy: -11.494 Base-Backbone interact. energy: -0.000 local terms energy: -27.071205 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -3.681 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -41.930248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.930248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.930248 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -15.117 Base-Backbone interact. energy: -0.000 local terms energy: -26.813144 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -5.451 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: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -31.701111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.701111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.701111 (E_RNA) where: Base-Base interactions energy: -12.947 where: short stacking energy: -12.947 Base-Backbone interact. energy: -0.012 local terms energy: -18.741532 where: bonds (distance) C4'-P energy: -2.938 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -32.175908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.175908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.175908 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -7.664 Base-Backbone interact. energy: -0.006 local terms energy: -24.505878 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -30.890615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.890615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.890615 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -9.677 Base-Backbone interact. energy: -0.031 local terms energy: -20.641271 where: bonds (distance) C4'-P energy: -3.692 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -1.168 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: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -28.629939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.629939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.629939 (E_RNA) where: Base-Base interactions energy: -2.757 where: short stacking energy: -2.757 Base-Backbone interact. energy: -0.000 local terms energy: -25.872679 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -3.314 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: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -30.180164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.180164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.180164 (E_RNA) where: Base-Base interactions energy: -3.565 where: short stacking energy: -3.565 Base-Backbone interact. energy: -0.118 local terms energy: -26.496637 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -27.520652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.520652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.520652 (E_RNA) where: Base-Base interactions energy: -5.115 where: short stacking energy: -5.278 Base-Backbone interact. energy: -0.094 local terms energy: -22.311800 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -41.461184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.461184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.461184 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.000 local terms energy: -29.100654 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -4.551 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: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -40.010994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.010994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.010994 (E_RNA) where: Base-Base interactions energy: -10.739 where: short stacking energy: -10.739 Base-Backbone interact. energy: -0.000 local terms energy: -29.271816 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -6.129 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: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -37.607471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.607471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.607471 (E_RNA) where: Base-Base interactions energy: -10.687 where: short stacking energy: -10.687 Base-Backbone interact. energy: -0.072 local terms energy: -26.847866 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.646 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: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -32.172872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.172872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.172872 (E_RNA) where: Base-Base interactions energy: -7.891 where: short stacking energy: -7.891 Base-Backbone interact. energy: -0.129 local terms energy: -24.152612 where: bonds (distance) C4'-P energy: -3.976 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -1.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -37.744394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.744394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.744394 (E_RNA) where: Base-Base interactions energy: -14.244 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.015 local terms energy: -23.485994 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -32.760242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760242 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -12.286 Base-Backbone interact. energy: -0.075 local terms energy: -20.399723 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -31.265396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.265396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.265396 (E_RNA) where: Base-Base interactions energy: -3.832 where: short stacking energy: -3.832 Base-Backbone interact. energy: -0.095 local terms energy: -27.338346 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.924 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -30.301255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301255 (E_RNA) where: Base-Base interactions energy: -7.505 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.084 local terms energy: -22.712416 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -2.368 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: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -27.644362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.644362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.644362 (E_RNA) where: Base-Base interactions energy: -5.624 where: short stacking energy: -5.624 Base-Backbone interact. energy: -0.101 local terms energy: -21.919776 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -1.236 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -33.271839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.271839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.271839 (E_RNA) where: Base-Base interactions energy: -6.286 where: short stacking energy: -6.286 Base-Backbone interact. energy: -0.000 local terms energy: -26.985387 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -38.798952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.798952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.798952 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -0.069 local terms energy: -27.024344 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -41.888543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.888543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.888543 (E_RNA) where: Base-Base interactions energy: -14.730 where: short stacking energy: -14.730 Base-Backbone interact. energy: -0.000 local terms energy: -27.158535 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -3.245 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: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -33.548292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.548292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.548292 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.005 local terms energy: -26.448542 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: 1.006 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: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -32.061348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.061348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.061348 (E_RNA) where: Base-Base interactions energy: -9.348 where: short stacking energy: -9.348 Base-Backbone interact. energy: -0.085 local terms energy: -22.629202 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -0.733 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: 207 Temperature: 1.100000 Total energy: -34.633290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.633290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.633290 (E_RNA) where: Base-Base interactions energy: -7.622 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.084 local terms energy: -26.927532 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -0.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -31.756304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.756304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.756304 (E_RNA) where: Base-Base interactions energy: -5.894 where: short stacking energy: -5.894 Base-Backbone interact. energy: -0.007 local terms energy: -25.855284 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -27.878429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.878429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.878429 (E_RNA) where: Base-Base interactions energy: -8.095 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.051 local terms energy: -19.733231 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -3.770 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -31.236419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.236419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.236419 (E_RNA) where: Base-Base interactions energy: -10.262 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.126 local terms energy: -20.848798 where: bonds (distance) C4'-P energy: -3.783 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -1.239 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -32.101526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.101526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.101526 (E_RNA) where: Base-Base interactions energy: -8.129 where: short stacking energy: -8.129 Base-Backbone interact. energy: -0.026 local terms energy: -23.946031 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -29.553399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.553399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.553399 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.001 local terms energy: -20.619461 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.536 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -36.991145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.991145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.991145 (E_RNA) where: Base-Base interactions energy: -11.399 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.030 local terms energy: -25.561954 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -36.646418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.646418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.646418 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.353 local terms energy: -24.890263 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -33.540239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.540239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.540239 (E_RNA) where: Base-Base interactions energy: -7.870 where: short stacking energy: -7.870 Base-Backbone interact. energy: -0.017 local terms energy: -25.652935 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.490 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: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -39.815074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.815074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.815074 (E_RNA) where: Base-Base interactions energy: -12.560 where: short stacking energy: -12.560 Base-Backbone interact. energy: -0.000 local terms energy: -27.255108 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -3.902 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: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -33.882270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.882270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.882270 (E_RNA) where: Base-Base interactions energy: -7.601 where: short stacking energy: -7.601 Base-Backbone interact. energy: -0.081 local terms energy: -26.199760 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -33.367224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.367224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.367224 (E_RNA) where: Base-Base interactions energy: -8.840 where: short stacking energy: -8.840 Base-Backbone interact. energy: -0.008 local terms energy: -24.519678 where: bonds (distance) C4'-P energy: -3.015 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -30.064484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064484 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.002 local terms energy: -22.218707 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -0.058 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: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -30.299071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.299071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.299071 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -7.261 Base-Backbone interact. energy: -0.600 local terms energy: -20.413445 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -2.636 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -27.740283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.740283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.740283 (E_RNA) where: Base-Base interactions energy: -4.587 where: short stacking energy: -4.587 Base-Backbone interact. energy: -0.000 local terms energy: -23.152901 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -4.789 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -1.734 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -33.319188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319188 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.032 local terms energy: -23.469520 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -2.642 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -37.231856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.231856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.231856 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.090 local terms energy: -25.580104 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -35.386178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.386178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.386178 (E_RNA) where: Base-Base interactions energy: -8.896 where: short stacking energy: -8.896 Base-Backbone interact. energy: -0.000 local terms energy: -26.489805 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -34.519464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.519464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.519464 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.001 local terms energy: -24.953187 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -1.233 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: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -39.304221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.304221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.304221 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.001 local terms energy: -28.063679 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -4.735 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: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -32.933867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.933867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.933867 (E_RNA) where: Base-Base interactions energy: -10.358 where: short stacking energy: -10.358 Base-Backbone interact. energy: -0.192 local terms energy: -22.383709 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -5.715 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -2.027 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: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -33.789783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.789783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.789783 (E_RNA) where: Base-Base interactions energy: -9.674 where: short stacking energy: -9.674 Base-Backbone interact. energy: -0.003 local terms energy: -24.113224 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.685 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: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -29.117904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117904 (E_RNA) where: Base-Base interactions energy: -6.562 where: short stacking energy: -6.562 Base-Backbone interact. energy: -0.009 local terms energy: -22.546075 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.453 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: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -30.666791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.666791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.666791 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.072 local terms energy: -21.544390 where: bonds (distance) C4'-P energy: -4.370 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -30.616698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.616698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.616698 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -6.923 Base-Backbone interact. energy: -0.005 local terms energy: -23.689287 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -30.223848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.223848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.223848 (E_RNA) where: Base-Base interactions energy: -11.788 where: short stacking energy: -11.788 Base-Backbone interact. energy: -0.000 local terms energy: -18.436112 where: bonds (distance) C4'-P energy: -1.017 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -1.220 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: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -35.845486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.845486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.845486 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.043 local terms energy: -24.553943 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -34.380223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.380223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.380223 (E_RNA) where: Base-Base interactions energy: -10.374 where: short stacking energy: -10.374 Base-Backbone interact. energy: -0.042 local terms energy: -23.964562 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -38.777917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.777917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.777917 (E_RNA) where: Base-Base interactions energy: -11.529 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.001 local terms energy: -27.248427 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -33.233391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.233391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.233391 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.034 local terms energy: -26.034673 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -4.468 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: 210 Temperature: 1.100000 Total energy: -36.098642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.098642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.098642 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.071 local terms energy: -26.783741 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -35.656968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656968 (E_RNA) where: Base-Base interactions energy: -9.908 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.371 local terms energy: -25.378315 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -4.820 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -4.166 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: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -35.176532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.176532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.176532 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: -0.043 local terms energy: -26.044044 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -30.957679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.957679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.957679 (E_RNA) where: Base-Base interactions energy: -5.925 where: short stacking energy: -5.925 Base-Backbone interact. energy: -1.083 local terms energy: -23.950393 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -29.116205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.116205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.116205 (E_RNA) where: Base-Base interactions energy: -6.380 where: short stacking energy: -6.380 Base-Backbone interact. energy: -0.000 local terms energy: -22.736547 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -26.911820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.911820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.911820 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.002 local terms energy: -18.909894 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -0.647 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -38.432289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432289 (E_RNA) where: Base-Base interactions energy: -11.439 where: short stacking energy: -11.439 Base-Backbone interact. energy: -0.000 local terms energy: -26.993313 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -35.355964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355964 (E_RNA) where: Base-Base interactions energy: -12.265 where: short stacking energy: -12.265 Base-Backbone interact. energy: -0.014 local terms energy: -23.077190 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -38.687660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.687660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.687660 (E_RNA) where: Base-Base interactions energy: -12.400 where: short stacking energy: -10.896 Base-Backbone interact. energy: -0.004 local terms energy: -26.284228 where: bonds (distance) C4'-P energy: -4.689 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -2.602 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -34.338150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.338150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.338150 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.078 local terms energy: -22.986382 where: bonds (distance) C4'-P energy: -5.988 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -27.002645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.002645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.002645 (E_RNA) where: Base-Base interactions energy: -0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.040 local terms energy: -26.963051 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -29.816432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.816432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.816432 (E_RNA) where: Base-Base interactions energy: -4.765 where: short stacking energy: -4.865 Base-Backbone interact. energy: -0.983 local terms energy: -24.068314 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -1.030 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: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -36.645633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.645633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.645633 (E_RNA) where: Base-Base interactions energy: -10.130 where: short stacking energy: -10.130 Base-Backbone interact. energy: -0.029 local terms energy: -26.486673 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -27.188965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.188965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.188965 (E_RNA) where: Base-Base interactions energy: -5.153 where: short stacking energy: -5.153 Base-Backbone interact. energy: -0.170 local terms energy: -21.865190 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: 0.628 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: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -32.134504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.134504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.134504 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.000 local terms energy: -23.290547 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -1.990 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: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -28.565205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.565205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.565205 (E_RNA) where: Base-Base interactions energy: -6.022 where: short stacking energy: -6.022 Base-Backbone interact. energy: -0.088 local terms energy: -22.455098 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: 1.604 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: 1, replica: 9 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -39.345002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345002 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.120 local terms energy: -28.429853 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.768 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.895 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: 212 Temperature: 0.950000 Total energy: -40.714523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.714523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.714523 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.000 local terms energy: -31.114631 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -31.336870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.336870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.336870 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.203 local terms energy: -23.080097 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: 1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -38.522085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522085 (E_RNA) where: Base-Base interactions energy: -14.205 where: short stacking energy: -14.205 Base-Backbone interact. energy: -0.002 local terms energy: -24.315063 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.525 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.667 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: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -36.529233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.529233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.529233 (E_RNA) where: Base-Base interactions energy: -10.885 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.000 local terms energy: -25.644400 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -30.891669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.891669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.891669 (E_RNA) where: Base-Base interactions energy: -8.593 where: short stacking energy: -8.593 Base-Backbone interact. energy: -0.043 local terms energy: -22.255659 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: 1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -32.153550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153550 (E_RNA) where: Base-Base interactions energy: -10.828 where: short stacking energy: -7.351 Base-Backbone interact. energy: -0.033 local terms energy: -21.292743 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -31.292272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292272 (E_RNA) where: Base-Base interactions energy: -6.310 where: short stacking energy: -6.310 Base-Backbone interact. energy: 0.632 local terms energy: -25.614056 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -28.753054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.753054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.753054 (E_RNA) where: Base-Base interactions energy: -3.125 where: short stacking energy: -3.125 Base-Backbone interact. energy: -0.091 local terms energy: -25.537555 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -30.275630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.275630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.275630 (E_RNA) where: Base-Base interactions energy: -10.221 where: short stacking energy: -10.221 Base-Backbone interact. energy: -0.000 local terms energy: -20.054634 where: bonds (distance) C4'-P energy: -2.607 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -1.572 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: 9 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -36.428022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.428022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.428022 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.025 local terms energy: -24.794924 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -39.689549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.689549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.689549 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.038 local terms energy: -28.081204 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -1.438 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: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -35.407094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.407094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.407094 (E_RNA) where: Base-Base interactions energy: -10.370 where: short stacking energy: -10.370 Base-Backbone interact. energy: -0.013 local terms energy: -25.023928 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.350 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: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -35.109228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.109228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.109228 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.001 local terms energy: -24.457837 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -5.113 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: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -32.990717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.990717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.990717 (E_RNA) where: Base-Base interactions energy: -10.849 where: short stacking energy: -4.702 Base-Backbone interact. energy: -0.000 local terms energy: -22.141377 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -30.799216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799216 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.191 Base-Backbone interact. energy: -0.376 local terms energy: -19.875929 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -30.376524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.376524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.376524 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.003 local terms energy: -22.779341 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -28.748566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.748566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.748566 (E_RNA) where: Base-Base interactions energy: -9.906 where: short stacking energy: -9.906 Base-Backbone interact. energy: -0.028 local terms energy: -18.815281 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: 0.075 tors. eta vs tors. theta energy: -0.159 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: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -32.330186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.330186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.330186 (E_RNA) where: Base-Base interactions energy: -5.285 where: short stacking energy: -5.285 Base-Backbone interact. energy: -0.048 local terms energy: -26.996657 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -2.082 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -27.397180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.397180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.397180 (E_RNA) where: Base-Base interactions energy: -13.006 where: short stacking energy: -13.006 Base-Backbone interact. energy: -0.002 local terms energy: -14.389376 where: bonds (distance) C4'-P energy: 0.968 bonds (distance) P-C4' energy: -3.756 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -40.302969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.302969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.302969 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -14.135 Base-Backbone interact. energy: -0.161 local terms energy: -26.007402 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -2.825 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -36.918994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918994 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.004 local terms energy: -24.997998 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -1.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -35.961956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961956 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.001 local terms energy: -25.618428 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -1.770 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: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -35.773625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.773625 (E_RNA) where: Base-Base interactions energy: -11.008 where: short stacking energy: -11.008 Base-Backbone interact. energy: -0.003 local terms energy: -24.763136 where: bonds (distance) C4'-P energy: -5.371 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -33.328533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.328533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.328533 (E_RNA) where: Base-Base interactions energy: -8.883 where: short stacking energy: -8.883 Base-Backbone interact. energy: -0.042 local terms energy: -24.402878 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -35.656544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656544 (E_RNA) where: Base-Base interactions energy: -10.199 where: short stacking energy: -10.199 Base-Backbone interact. energy: -0.000 local terms energy: -25.457123 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -32.583711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.583711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.583711 (E_RNA) where: Base-Base interactions energy: -8.401 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.097 local terms energy: -24.086040 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: 1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -28.694567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.694567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.694567 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: -0.014 local terms energy: -21.218125 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -4.823 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -2.421 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: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -31.674339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.674339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.674339 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: 0.243 local terms energy: -20.728403 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: 1.254 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: 214 Temperature: 1.350000 Total energy: -27.479161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.479161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.479161 (E_RNA) where: Base-Base interactions energy: -6.748 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.126 local terms energy: -20.605775 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -0.935 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -34.209463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.209463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.209463 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.070 local terms energy: -21.767807 where: bonds (distance) C4'-P energy: -5.839 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: 1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -36.757002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.757002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.757002 (E_RNA) where: Base-Base interactions energy: -10.147 where: short stacking energy: -10.147 Base-Backbone interact. energy: -0.008 local terms energy: -26.602523 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -4.750 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: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -36.283932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.283932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.283932 (E_RNA) where: Base-Base interactions energy: -15.979 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.000 local terms energy: -20.305016 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -1.628 tors. eta vs tors. theta energy: -3.570 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: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -37.251098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.251098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.251098 (E_RNA) where: Base-Base interactions energy: -14.843 where: short stacking energy: -14.843 Base-Backbone interact. energy: -0.000 local terms energy: -22.407748 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: 0.736 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -32.213770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213770 (E_RNA) where: Base-Base interactions energy: -9.259 where: short stacking energy: -9.259 Base-Backbone interact. energy: -0.035 local terms energy: -22.919158 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: 0.946 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: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -32.089493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.089493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.089493 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.445 Base-Backbone interact. energy: -0.172 local terms energy: -18.472905 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: 1.188 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: 215 Temperature: 1.200000 Total energy: -33.089714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.089714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.089714 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.000 local terms energy: -23.221746 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.235 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -35.194104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.194104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.194104 (E_RNA) where: Base-Base interactions energy: -8.504 where: short stacking energy: -8.504 Base-Backbone interact. energy: -0.000 local terms energy: -26.689784 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.874 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: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -29.159863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.159863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.159863 (E_RNA) where: Base-Base interactions energy: -2.594 where: short stacking energy: -3.194 Base-Backbone interact. energy: -0.201 local terms energy: -26.365150 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -26.897819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.897819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.897819 (E_RNA) where: Base-Base interactions energy: -6.489 where: short stacking energy: -5.636 Base-Backbone interact. energy: -0.104 local terms energy: -20.304991 where: bonds (distance) C4'-P energy: -4.340 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -2.910 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: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -43.317940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317940 (E_RNA) where: Base-Base interactions energy: -15.006 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.027 local terms energy: -28.284768 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -4.218 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: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -38.992864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.992864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.992864 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -26.946815 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -3.176 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: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -36.961418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.961418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.961418 (E_RNA) where: Base-Base interactions energy: -9.606 where: short stacking energy: -9.606 Base-Backbone interact. energy: -0.014 local terms energy: -27.340694 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -3.305 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: 216 Temperature: 1.050000 Total energy: -32.827715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.827715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.827715 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.070 local terms energy: -25.049109 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -1.159 tors. eta vs tors. theta energy: -3.316 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: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -33.414340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.414340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.414340 (E_RNA) where: Base-Base interactions energy: -5.003 where: short stacking energy: -3.403 Base-Backbone interact. energy: -0.626 local terms energy: -27.784549 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -1.477 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: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -31.877268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.877268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.877268 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.060 local terms energy: -22.612037 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -29.676948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.676948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.676948 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.119 local terms energy: -21.609028 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -32.243166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.243166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.243166 (E_RNA) where: Base-Base interactions energy: -8.950 where: short stacking energy: -8.950 Base-Backbone interact. energy: -0.000 local terms energy: -23.293617 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -1.580 tors. eta vs tors. theta energy: -3.434 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: 216 Temperature: 1.300000 Total energy: -30.916815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.916815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.916815 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.016 local terms energy: -23.443277 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -1.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -24.880506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.880506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.880506 (E_RNA) where: Base-Base interactions energy: -2.674 where: short stacking energy: -2.674 Base-Backbone interact. energy: -0.077 local terms energy: -22.129684 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -1.131 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: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -38.771270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.771270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.771270 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.000 local terms energy: -26.320787 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -3.082 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: 217 Temperature: 0.950000 Total energy: -37.877483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.877483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.877483 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -11.200 Base-Backbone interact. energy: -0.012 local terms energy: -24.573110 where: bonds (distance) C4'-P energy: -4.113 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -37.299015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.299015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.299015 (E_RNA) where: Base-Base interactions energy: -9.948 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.144 local terms energy: -27.206993 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -1.513 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: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -39.131713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.131713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.131713 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.000 local terms energy: -24.589214 where: bonds (distance) C4'-P energy: -4.312 bonds (distance) P-C4' energy: -4.238 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -5.594 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: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -30.091175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091175 (E_RNA) where: Base-Base interactions energy: -7.658 where: short stacking energy: -7.658 Base-Backbone interact. energy: -0.000 local terms energy: -22.432781 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -34.710379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.710379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.710379 (E_RNA) where: Base-Base interactions energy: -9.536 where: short stacking energy: -9.536 Base-Backbone interact. energy: -0.002 local terms energy: -25.171764 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -30.673835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.673835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.673835 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.001 local terms energy: -23.293366 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -2.745 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: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -29.143992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.143992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.143992 (E_RNA) where: Base-Base interactions energy: -5.053 where: short stacking energy: -5.053 Base-Backbone interact. energy: -0.001 local terms energy: -24.090704 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -27.663213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.663213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.663213 (E_RNA) where: Base-Base interactions energy: -3.580 where: short stacking energy: -3.580 Base-Backbone interact. energy: -0.005 local terms energy: -24.077430 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: 0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -42.451953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.451953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.451953 (E_RNA) where: Base-Base interactions energy: -12.877 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.010 local terms energy: -29.565623 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -34.045343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.045343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.045343 (E_RNA) where: Base-Base interactions energy: -12.816 where: short stacking energy: -8.420 Base-Backbone interact. energy: -0.042 local terms energy: -21.187278 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: 2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -33.316285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.316285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.316285 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.000 local terms energy: -23.980083 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -1.115 tors. eta vs tors. theta energy: -1.973 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: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -35.479874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.479874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.479874 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.787 Base-Backbone interact. energy: 0.002 local terms energy: -24.695353 where: bonds (distance) C4'-P energy: -4.209 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -2.909 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: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -32.124233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.124233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.124233 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.913 local terms energy: -22.891435 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: 0.161 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: 218 Temperature: 1.100000 Total energy: -34.854477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.854477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.854477 (E_RNA) where: Base-Base interactions energy: -10.955 where: short stacking energy: -10.955 Base-Backbone interact. energy: -0.000 local terms energy: -23.899708 where: bonds (distance) C4'-P energy: -2.991 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -34.633829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.633829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.633829 (E_RNA) where: Base-Base interactions energy: -5.405 where: short stacking energy: -5.405 Base-Backbone interact. energy: -0.003 local terms energy: -29.224888 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -28.255005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.255005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.255005 (E_RNA) where: Base-Base interactions energy: -6.363 where: short stacking energy: -4.819 Base-Backbone interact. energy: -0.569 local terms energy: -21.323275 where: bonds (distance) C4'-P energy: -3.021 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -0.234 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -33.315042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315042 (E_RNA) where: Base-Base interactions energy: -8.380 where: short stacking energy: -8.380 Base-Backbone interact. energy: -0.150 local terms energy: -24.785148 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -27.974941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974941 (E_RNA) where: Base-Base interactions energy: -4.047 where: short stacking energy: -4.047 Base-Backbone interact. energy: -0.002 local terms energy: -23.926359 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -0.393 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: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -31.447776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.447776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.447776 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -6.064 Base-Backbone interact. energy: -0.056 local terms energy: -23.307008 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -37.270631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.270631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.270631 (E_RNA) where: Base-Base interactions energy: -10.544 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.001 local terms energy: -26.726008 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -2.015 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: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -38.793398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793398 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.003 local terms energy: -24.128730 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -37.101099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.101099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.101099 (E_RNA) where: Base-Base interactions energy: -7.305 where: short stacking energy: -7.605 Base-Backbone interact. energy: -1.410 local terms energy: -28.385734 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -37.670095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.670095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.670095 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.029 local terms energy: -27.666837 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -4.247 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: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -35.351294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.351294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.351294 (E_RNA) where: Base-Base interactions energy: -11.686 where: short stacking energy: -11.686 Base-Backbone interact. energy: -0.039 local terms energy: -23.626593 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -29.564603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.564603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.564603 (E_RNA) where: Base-Base interactions energy: -9.933 where: short stacking energy: -9.933 Base-Backbone interact. energy: -0.049 local terms energy: -19.582467 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -33.575242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.575242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.575242 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.682 local terms energy: -23.616367 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -30.438888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438888 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.418 Base-Backbone interact. energy: -0.039 local terms energy: -21.982266 where: bonds (distance) C4'-P energy: -4.258 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -1.028 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: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -34.401828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.401828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.401828 (E_RNA) where: Base-Base interactions energy: -11.435 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.034 local terms energy: -22.932890 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -28.176494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.176494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.176494 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.057 local terms energy: -19.569339 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.176 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: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -37.194482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.194482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.194482 (E_RNA) where: Base-Base interactions energy: -10.889 where: short stacking energy: -10.889 Base-Backbone interact. energy: 0.479 local terms energy: -26.784739 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -1.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -37.339223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.339223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.339223 (E_RNA) where: Base-Base interactions energy: -9.551 where: short stacking energy: -9.551 Base-Backbone interact. energy: -0.007 local terms energy: -27.780942 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -34.520426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.520426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.520426 (E_RNA) where: Base-Base interactions energy: -6.221 where: short stacking energy: -6.221 Base-Backbone interact. energy: -0.053 local terms energy: -28.246147 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -3.303 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -30.401598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.401598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.401598 (E_RNA) where: Base-Base interactions energy: -7.743 where: short stacking energy: -7.743 Base-Backbone interact. energy: -0.035 local terms energy: -22.623688 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: 1.460 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: 220 Temperature: 1.100000 Total energy: -33.636268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.636268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.636268 (E_RNA) where: Base-Base interactions energy: -5.595 where: short stacking energy: -5.595 Base-Backbone interact. energy: -0.000 local terms energy: -28.040773 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -38.951524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.951524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.951524 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.000 local terms energy: -27.317293 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -33.846999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.846999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.846999 (E_RNA) where: Base-Base interactions energy: -10.598 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.199 local terms energy: -23.049741 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: 0.333 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: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -31.279670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.279670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.279670 (E_RNA) where: Base-Base interactions energy: -6.610 where: short stacking energy: -6.610 Base-Backbone interact. energy: -0.006 local terms energy: -24.663578 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: 1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -33.878793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.878793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.878793 (E_RNA) where: Base-Base interactions energy: -10.633 where: short stacking energy: -10.633 Base-Backbone interact. energy: -0.000 local terms energy: -23.245732 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -4.473 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.098 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: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -30.333401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.333401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.333401 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.055 local terms energy: -22.197892 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -36.172817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.172817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.172817 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.009 local terms energy: -25.745605 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -42.469404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.469404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.469404 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.000 local terms energy: -28.326061 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -31.901580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.901580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.901580 (E_RNA) where: Base-Base interactions energy: -5.978 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.008 local terms energy: -25.915252 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -2.088 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: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -33.463515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463515 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.000 local terms energy: -21.944431 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -31.004307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.004307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.004307 (E_RNA) where: Base-Base interactions energy: -5.283 where: short stacking energy: -5.283 Base-Backbone interact. energy: -0.103 local terms energy: -25.618140 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -30.564659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.564659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.564659 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -1.189 local terms energy: -21.839930 where: bonds (distance) C4'-P energy: -2.437 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -32.668471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.668471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.668471 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -5.316 Base-Backbone interact. energy: -0.173 local terms energy: -24.701936 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -1.166 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: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -32.951153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.951153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.951153 (E_RNA) where: Base-Base interactions energy: -8.123 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.000 local terms energy: -24.828585 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -1.771 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: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -29.819617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.819617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.819617 (E_RNA) where: Base-Base interactions energy: -7.179 where: short stacking energy: -7.179 Base-Backbone interact. energy: -0.006 local terms energy: -22.634446 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -5.106 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: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -27.748068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.748068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.748068 (E_RNA) where: Base-Base interactions energy: -5.051 where: short stacking energy: -3.299 Base-Backbone interact. energy: 0.262 local terms energy: -22.958493 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -39.230447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.230447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.230447 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.000 local terms energy: -28.250213 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -3.271 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: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -42.619447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.619447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.619447 (E_RNA) where: Base-Base interactions energy: -14.167 where: short stacking energy: -14.167 Base-Backbone interact. energy: -0.000 local terms energy: -28.452294 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -35.399647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.399647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.399647 (E_RNA) where: Base-Base interactions energy: -7.456 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.001 local terms energy: -27.942576 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -31.554070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554070 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.024 local terms energy: -20.484021 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -0.728 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: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -40.573480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.573480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.573480 (E_RNA) where: Base-Base interactions energy: -13.804 where: short stacking energy: -12.560 Base-Backbone interact. energy: 0.542 local terms energy: -27.311492 where: bonds (distance) C4'-P energy: -3.526 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -5.887 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: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -31.687408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.687408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.687408 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.151 local terms energy: -23.343640 where: bonds (distance) C4'-P energy: -4.283 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -31.678250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.678250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.678250 (E_RNA) where: Base-Base interactions energy: -6.725 where: short stacking energy: -6.725 Base-Backbone interact. energy: -0.098 local terms energy: -24.855648 where: bonds (distance) C4'-P energy: -7.148 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -28.699544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.699544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.699544 (E_RNA) where: Base-Base interactions energy: -4.057 where: short stacking energy: -4.057 Base-Backbone interact. energy: -0.004 local terms energy: -24.639005 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -33.175927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.175927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.175927 (E_RNA) where: Base-Base interactions energy: -11.150 where: short stacking energy: -11.150 Base-Backbone interact. energy: -0.056 local terms energy: -21.970109 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -4.115 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -27.084552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.084552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.084552 (E_RNA) where: Base-Base interactions energy: -3.695 where: short stacking energy: -3.695 Base-Backbone interact. energy: -0.198 local terms energy: -23.191575 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -43.290511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290511 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -12.846 Base-Backbone interact. energy: -0.094 local terms energy: -30.350048 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -37.325120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.325120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.325120 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.018 local terms energy: -25.845128 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -37.278164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.278164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.278164 (E_RNA) where: Base-Base interactions energy: -14.423 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.071 local terms energy: -22.784496 where: bonds (distance) C4'-P energy: -4.929 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -36.531619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.531619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.531619 (E_RNA) where: Base-Base interactions energy: -12.438 where: short stacking energy: -12.438 Base-Backbone interact. energy: -0.037 local terms energy: -24.056246 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -0.017 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: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -32.251806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.251806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.251806 (E_RNA) where: Base-Base interactions energy: -7.837 where: short stacking energy: -7.837 Base-Backbone interact. energy: -0.000 local terms energy: -24.414880 where: bonds (distance) C4'-P energy: -6.420 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -1.075 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: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -33.590049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.590049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.590049 (E_RNA) where: Base-Base interactions energy: -9.882 where: short stacking energy: -9.882 Base-Backbone interact. energy: -0.006 local terms energy: -23.701822 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: 0.313 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: 223 Temperature: 1.200000 Total energy: -32.063538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063538 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.000 local terms energy: -23.774371 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -27.279012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.279012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.279012 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.018 local terms energy: -19.491131 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: 0.828 tors. eta vs tors. theta energy: 0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -28.926718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926718 (E_RNA) where: Base-Base interactions energy: -5.900 where: short stacking energy: -5.900 Base-Backbone interact. energy: -0.018 local terms energy: -23.008909 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -0.573 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -4.538 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: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -27.907439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.907439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.907439 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.012 local terms energy: -19.841159 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.230 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: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -39.778783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778783 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -13.363 Base-Backbone interact. energy: 0.275 local terms energy: -26.691282 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -2.473 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: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -40.861082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.861082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.861082 (E_RNA) where: Base-Base interactions energy: -11.767 where: short stacking energy: -11.767 Base-Backbone interact. energy: -0.001 local terms energy: -29.092782 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -39.052418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.052418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.052418 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.000 local terms energy: -28.848729 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -42.103572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.103572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.103572 (E_RNA) where: Base-Base interactions energy: -14.624 where: short stacking energy: -14.624 Base-Backbone interact. energy: -0.000 local terms energy: -27.478917 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -2.163 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -33.623969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.623969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.623969 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.015 local terms energy: -26.829598 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -29.970722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.970722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.970722 (E_RNA) where: Base-Base interactions energy: -7.021 where: short stacking energy: -7.021 Base-Backbone interact. energy: -0.072 local terms energy: -22.878267 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -0.369 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: 224 Temperature: 1.200000 Total energy: -26.881204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.881204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.881204 (E_RNA) where: Base-Base interactions energy: -5.764 where: short stacking energy: -5.764 Base-Backbone interact. energy: -0.008 local terms energy: -21.109144 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -34.168817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.168817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.168817 (E_RNA) where: Base-Base interactions energy: -11.990 where: short stacking energy: -11.990 Base-Backbone interact. energy: -0.001 local terms energy: -22.178208 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -27.569571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.569571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.569571 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.128 local terms energy: -19.557226 where: bonds (distance) C4'-P energy: -3.376 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: 0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -30.225260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.225260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.225260 (E_RNA) where: Base-Base interactions energy: -7.518 where: short stacking energy: -7.518 Base-Backbone interact. energy: -0.093 local terms energy: -22.613473 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -43.067689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067689 (E_RNA) where: Base-Base interactions energy: -14.718 where: short stacking energy: -14.718 Base-Backbone interact. energy: -0.001 local terms energy: -28.348552 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -2.762 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: 225 Temperature: 0.950000 Total energy: -34.137219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.137219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.137219 (E_RNA) where: Base-Base interactions energy: -11.215 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.090 local terms energy: -22.831457 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.771 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: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -33.111721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111721 (E_RNA) where: Base-Base interactions energy: -8.784 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.049 local terms energy: -24.278945 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -1.999 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: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -38.104925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.104925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.104925 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.445 Base-Backbone interact. energy: 0.092 local terms energy: -24.751743 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -0.931 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: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -35.315668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.315668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.315668 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.004 local terms energy: -28.480996 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -29.484135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.484135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.484135 (E_RNA) where: Base-Base interactions energy: -5.221 where: short stacking energy: -5.921 Base-Backbone interact. energy: -0.329 local terms energy: -23.934600 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -32.605923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.605923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.605923 (E_RNA) where: Base-Base interactions energy: -8.182 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.000 local terms energy: -24.423578 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.484 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: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -31.272669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.272669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.272669 (E_RNA) where: Base-Base interactions energy: -9.957 where: short stacking energy: -9.957 Base-Backbone interact. energy: -0.133 local terms energy: -21.182621 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.662 flat angles P-C4'-P energy: -4.838 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: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -27.045806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.045806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.045806 (E_RNA) where: Base-Base interactions energy: -3.502 where: short stacking energy: -3.502 Base-Backbone interact. energy: -0.004 local terms energy: -23.540037 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: 1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -24.354756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.354756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.354756 (E_RNA) where: Base-Base interactions energy: -6.945 where: short stacking energy: -6.945 Base-Backbone interact. energy: -0.140 local terms energy: -17.269254 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -3.686 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: 1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -39.739628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.739628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.739628 (E_RNA) where: Base-Base interactions energy: -15.427 where: short stacking energy: -15.285 Base-Backbone interact. energy: -0.047 local terms energy: -24.265802 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -40.576963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.576963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.576963 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.000 local terms energy: -24.419391 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.086 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: 3, replica: 10 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -37.373748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.373748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.373748 (E_RNA) where: Base-Base interactions energy: -11.705 where: short stacking energy: -11.705 Base-Backbone interact. energy: -0.000 local terms energy: -25.668151 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -2.661 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: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -34.825991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825991 (E_RNA) where: Base-Base interactions energy: -13.021 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.066 local terms energy: -21.738830 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -35.251301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.251301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.251301 (E_RNA) where: Base-Base interactions energy: -3.437 where: short stacking energy: -3.437 Base-Backbone interact. energy: -0.023 local terms energy: -31.791361 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -30.312707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.312707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.312707 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.199 local terms energy: -22.582619 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -0.609 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: 226 Temperature: 1.200000 Total energy: -27.002095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.002095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.002095 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.100 local terms energy: -20.594965 where: bonds (distance) C4'-P energy: -3.612 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -2.314 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -2.459 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: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -30.614563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.614563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.614563 (E_RNA) where: Base-Base interactions energy: -9.366 where: short stacking energy: -9.366 Base-Backbone interact. energy: -0.001 local terms energy: -21.247180 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -27.361249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.361249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.361249 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: -0.383 local terms energy: -19.217477 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -25.360116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.360116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.360116 (E_RNA) where: Base-Base interactions energy: -3.392 where: short stacking energy: -3.392 Base-Backbone interact. energy: -0.000 local terms energy: -21.968168 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -44.580336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.580336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.580336 (E_RNA) where: Base-Base interactions energy: -15.145 where: short stacking energy: -15.145 Base-Backbone interact. energy: -0.000 local terms energy: -29.435197 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -37.100243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.100243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.100243 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.033 local terms energy: -25.466204 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -33.873844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.873844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.873844 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.013 local terms energy: -26.810815 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -5.328 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: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -30.806987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.806987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.806987 (E_RNA) where: Base-Base interactions energy: -5.895 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.088 local terms energy: -24.824442 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -3.924 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -30.783313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.783313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.783313 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -6.240 Base-Backbone interact. energy: -0.039 local terms energy: -24.504293 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -30.897182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.897182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.897182 (E_RNA) where: Base-Base interactions energy: -6.277 where: short stacking energy: -6.277 Base-Backbone interact. energy: 0.094 local terms energy: -24.714052 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -29.498972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.498972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.498972 (E_RNA) where: Base-Base interactions energy: -7.024 where: short stacking energy: -5.620 Base-Backbone interact. energy: -0.072 local terms energy: -22.403519 where: bonds (distance) C4'-P energy: -5.512 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -35.360202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.360202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.360202 (E_RNA) where: Base-Base interactions energy: -9.548 where: short stacking energy: -9.350 Base-Backbone interact. energy: -0.058 local terms energy: -25.753442 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -31.000633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000633 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.001 local terms energy: -23.421853 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -28.699076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.699076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.699076 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.157 local terms energy: -21.712542 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: 2.362 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: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -38.257510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.257510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.257510 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.009 local terms energy: -26.538971 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -34.525812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.525812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.525812 (E_RNA) where: Base-Base interactions energy: -7.527 where: short stacking energy: -7.527 Base-Backbone interact. energy: -0.017 local terms energy: -26.981674 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -1.769 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: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -37.275616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.275616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.275616 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.000 local terms energy: -25.864292 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -4.704 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -3.859 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: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -32.508876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.508876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.508876 (E_RNA) where: Base-Base interactions energy: -7.821 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.027 local terms energy: -24.660458 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -0.447 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -37.094542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.094542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.094542 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.001 local terms energy: -26.043026 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -29.323579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.323579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.323579 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: 0.232 local terms energy: -23.137452 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -35.225599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.225599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.225599 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.048 local terms energy: -27.683367 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -29.920463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.920463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.920463 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: -7.355 Base-Backbone interact. energy: -0.006 local terms energy: -22.559837 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: 0.436 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: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -33.127881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127881 (E_RNA) where: Base-Base interactions energy: -7.564 where: short stacking energy: -7.564 Base-Backbone interact. energy: -0.004 local terms energy: -25.560253 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -2.066 tors. eta vs tors. theta energy: -1.817 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: 228 Temperature: 1.350000 Total energy: -32.850210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.850210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.850210 (E_RNA) where: Base-Base interactions energy: -9.644 where: short stacking energy: -9.644 Base-Backbone interact. energy: 0.790 local terms energy: -23.996251 where: bonds (distance) C4'-P energy: -4.494 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -3.032 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: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -41.481566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.481566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.481566 (E_RNA) where: Base-Base interactions energy: -12.352 where: short stacking energy: -12.352 Base-Backbone interact. energy: -0.039 local terms energy: -29.089995 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -2.820 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: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -36.347295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.347295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.347295 (E_RNA) where: Base-Base interactions energy: -11.426 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.012 local terms energy: -24.909175 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -3.455 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -37.012210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.012210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.012210 (E_RNA) where: Base-Base interactions energy: -11.027 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.011 local terms energy: -25.973702 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.515 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -3.754 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: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -39.421191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421191 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.000 local terms energy: -28.355251 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.216 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -36.899547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.899547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.899547 (E_RNA) where: Base-Base interactions energy: -12.669 where: short stacking energy: -10.412 Base-Backbone interact. energy: -0.020 local terms energy: -24.210798 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -30.545970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.545970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.545970 (E_RNA) where: Base-Base interactions energy: -8.622 where: short stacking energy: -8.622 Base-Backbone interact. energy: -0.092 local terms energy: -21.831436 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -30.851801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.851801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.851801 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -5.370 Base-Backbone interact. energy: -0.071 local terms energy: -23.200457 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: 1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -27.545011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.545011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.545011 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.782 local terms energy: -19.640822 where: bonds (distance) C4'-P energy: -4.374 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: 1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -29.517458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.517458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.517458 (E_RNA) where: Base-Base interactions energy: -8.938 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.012 local terms energy: -20.567862 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -0.280 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: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -28.105947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105947 (E_RNA) where: Base-Base interactions energy: -2.035 where: short stacking energy: -2.035 Base-Backbone interact. energy: -1.128 local terms energy: -24.942997 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -32.532960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532960 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.003 local terms energy: -21.243098 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: 0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -35.710331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.710331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.710331 (E_RNA) where: Base-Base interactions energy: -11.103 where: short stacking energy: -11.103 Base-Backbone interact. energy: -0.158 local terms energy: -24.449565 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -37.343026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.343026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.343026 (E_RNA) where: Base-Base interactions energy: -15.265 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.113 local terms energy: -21.965332 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -36.828673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.828673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.828673 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.001 local terms energy: -25.191104 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -37.665071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.665071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.665071 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.001 local terms energy: -25.462146 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -33.488289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.488289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.488289 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.102 local terms energy: -22.666700 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -1.965 tors. eta vs tors. theta energy: -1.727 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: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -32.310002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.310002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.310002 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -13.060 Base-Backbone interact. energy: -0.011 local terms energy: -19.238509 where: bonds (distance) C4'-P energy: -4.713 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: 1.037 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: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -29.493811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.493811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.493811 (E_RNA) where: Base-Base interactions energy: -5.384 where: short stacking energy: -5.384 Base-Backbone interact. energy: 0.153 local terms energy: -24.262980 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: 0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -31.483919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.483919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.483919 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.001 local terms energy: -20.749758 where: bonds (distance) C4'-P energy: -4.320 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -27.852993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.852993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.852993 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.019 local terms energy: -22.178371 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -0.237 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: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -40.042208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.042208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.042208 (E_RNA) where: Base-Base interactions energy: -13.846 where: short stacking energy: -10.263 Base-Backbone interact. energy: -0.100 local terms energy: -26.096457 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -38.974867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.974867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.974867 (E_RNA) where: Base-Base interactions energy: -10.812 where: short stacking energy: -10.812 Base-Backbone interact. energy: -0.000 local terms energy: -28.162642 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -37.203375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.203375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.203375 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.019 local terms energy: -24.393539 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -37.283105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.283105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.283105 (E_RNA) where: Base-Base interactions energy: -14.400 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.039 local terms energy: -22.844013 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.592 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: 5, replica: 5 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -34.072191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.072191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.072191 (E_RNA) where: Base-Base interactions energy: -12.071 where: short stacking energy: -12.071 Base-Backbone interact. energy: -0.089 local terms energy: -21.911985 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -3.672 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -32.657643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.657643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.657643 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.027 local terms energy: -24.512035 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -36.101014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.101014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.101014 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.011 local terms energy: -22.351869 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -33.307560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.307560 (E_RNA) where: Base-Base interactions energy: -8.799 where: short stacking energy: -8.799 Base-Backbone interact. energy: -0.000 local terms energy: -24.508627 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -1.996 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: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -28.910781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.910781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.910781 (E_RNA) where: Base-Base interactions energy: -7.243 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.100 local terms energy: -21.567271 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -1.495 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -30.335402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.335402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.335402 (E_RNA) where: Base-Base interactions energy: -3.300 where: short stacking energy: -3.800 Base-Backbone interact. energy: -0.000 local terms energy: -27.034801 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -46.741239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.741239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.741239 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.550 local terms energy: -34.733081 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -36.029729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.029729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.029729 (E_RNA) where: Base-Base interactions energy: -10.117 where: short stacking energy: -10.117 Base-Backbone interact. energy: -0.092 local terms energy: -25.820624 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -36.156363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.156363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.156363 (E_RNA) where: Base-Base interactions energy: -8.940 where: short stacking energy: -8.940 Base-Backbone interact. energy: -0.005 local terms energy: -27.211569 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -32.835974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.835974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.835974 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.047 local terms energy: -22.771886 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -1.474 tors. eta vs tors. theta energy: -1.231 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -35.203834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.203834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.203834 (E_RNA) where: Base-Base interactions energy: -13.999 where: short stacking energy: -13.999 Base-Backbone interact. energy: -0.057 local terms energy: -21.147550 where: bonds (distance) C4'-P energy: -2.945 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -3.662 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: 5 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -32.958739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.958739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.958739 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -8.713 Base-Backbone interact. energy: -1.053 local terms energy: -22.298304 where: bonds (distance) C4'-P energy: -4.237 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -33.140516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.140516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.140516 (E_RNA) where: Base-Base interactions energy: -12.486 where: short stacking energy: -9.793 Base-Backbone interact. energy: -0.174 local terms energy: -20.480251 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -1.764 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.487 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: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -28.340428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.340428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.340428 (E_RNA) where: Base-Base interactions energy: -7.082 where: short stacking energy: -7.082 Base-Backbone interact. energy: -0.063 local terms energy: -21.195059 where: bonds (distance) C4'-P energy: -4.486 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -2.523 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: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -28.316759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.316759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.316759 (E_RNA) where: Base-Base interactions energy: -3.774 where: short stacking energy: -3.774 Base-Backbone interact. energy: -0.000 local terms energy: -24.542766 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -29.754561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.754561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.754561 (E_RNA) where: Base-Base interactions energy: -5.892 where: short stacking energy: -5.892 Base-Backbone interact. energy: -0.000 local terms energy: -23.862576 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -42.136410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.136410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.136410 (E_RNA) where: Base-Base interactions energy: -11.558 where: short stacking energy: -11.284 Base-Backbone interact. energy: -1.089 local terms energy: -29.489977 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -43.177052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.177052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.177052 (E_RNA) where: Base-Base interactions energy: -13.894 where: short stacking energy: -13.894 Base-Backbone interact. energy: -0.003 local terms energy: -29.279698 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -34.350050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.350050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.350050 (E_RNA) where: Base-Base interactions energy: -8.160 where: short stacking energy: -8.160 Base-Backbone interact. energy: -0.023 local terms energy: -26.166690 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -37.909401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.909401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.909401 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.076 local terms energy: -24.752480 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -1.646 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: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -30.044720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.044720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.044720 (E_RNA) where: Base-Base interactions energy: -6.421 where: short stacking energy: -6.421 Base-Backbone interact. energy: -0.105 local terms energy: -23.518774 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -30.764874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764874 (E_RNA) where: Base-Base interactions energy: -5.663 where: short stacking energy: -5.663 Base-Backbone interact. energy: -0.001 local terms energy: -25.100806 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -0.827 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: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -30.280659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.280659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.280659 (E_RNA) where: Base-Base interactions energy: -8.918 where: short stacking energy: -8.918 Base-Backbone interact. energy: -0.100 local terms energy: -21.263014 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -1.694 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -27.023240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.023240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.023240 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.005 local terms energy: -20.150791 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -1.879 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: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -27.524050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.524050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.524050 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: -5.607 Base-Backbone interact. energy: -0.001 local terms energy: -21.915696 where: bonds (distance) C4'-P energy: -4.043 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -25.757142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.757142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.757142 (E_RNA) where: Base-Base interactions energy: -1.187 where: short stacking energy: -1.187 Base-Backbone interact. energy: -0.017 local terms energy: -24.552553 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -42.036108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.036108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.036108 (E_RNA) where: Base-Base interactions energy: -14.451 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.000 local terms energy: -27.585284 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -33.402918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.402918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.402918 (E_RNA) where: Base-Base interactions energy: -8.166 where: short stacking energy: -8.166 Base-Backbone interact. energy: -0.103 local terms energy: -25.134417 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.490 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -41.777772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.777772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.777772 (E_RNA) where: Base-Base interactions energy: -14.733 where: short stacking energy: -14.733 Base-Backbone interact. energy: -0.000 local terms energy: -27.044534 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -35.470317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.470317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.470317 (E_RNA) where: Base-Base interactions energy: -9.273 where: short stacking energy: -9.273 Base-Backbone interact. energy: -0.163 local terms energy: -26.034309 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.694 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -34.311064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311064 (E_RNA) where: Base-Base interactions energy: -9.090 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.031 local terms energy: -25.190235 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -36.185025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.185025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.185025 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.005 local terms energy: -23.724656 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -31.026070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.026070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.026070 (E_RNA) where: Base-Base interactions energy: -10.971 where: short stacking energy: -10.971 Base-Backbone interact. energy: -0.017 local terms energy: -20.037634 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -2.433 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: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -30.822593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.822593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.822593 (E_RNA) where: Base-Base interactions energy: -7.803 where: short stacking energy: -7.803 Base-Backbone interact. energy: -0.000 local terms energy: -23.019600 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -26.856358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.856358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.856358 (E_RNA) where: Base-Base interactions energy: -6.538 where: short stacking energy: -5.000 Base-Backbone interact. energy: -0.055 local terms energy: -20.263350 where: bonds (distance) C4'-P energy: -2.631 bonds (distance) P-C4' energy: -6.035 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -30.298965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.298965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.298965 (E_RNA) where: Base-Base interactions energy: -10.360 where: short stacking energy: -10.360 Base-Backbone interact. energy: -0.709 local terms energy: -19.229376 where: bonds (distance) C4'-P energy: -3.890 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: 0.072 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: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -40.477787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.477787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.477787 (E_RNA) where: Base-Base interactions energy: -14.054 where: short stacking energy: -14.054 Base-Backbone interact. energy: -0.001 local terms energy: -26.423092 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -3.018 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: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -34.717770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.717770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.717770 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.003 local terms energy: -28.013738 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -37.683282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.683282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.683282 (E_RNA) where: Base-Base interactions energy: -13.105 where: short stacking energy: -13.105 Base-Backbone interact. energy: -0.000 local terms energy: -24.577975 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -3.546 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: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -36.102357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.102357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.102357 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -6.110 Base-Backbone interact. energy: -0.038 local terms energy: -25.897907 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -33.644322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644322 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.156 local terms energy: -24.632461 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -2.434 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -33.094571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.094571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.094571 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.002 local terms energy: -25.235073 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -1.336 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: 7, replica: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -35.867676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.867676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.867676 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.023 local terms energy: -27.044668 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -30.258437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.258437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.258437 (E_RNA) where: Base-Base interactions energy: -7.175 where: short stacking energy: -7.175 Base-Backbone interact. energy: -0.002 local terms energy: -23.081665 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -4.378 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -28.597110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.597110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.597110 (E_RNA) where: Base-Base interactions energy: -4.225 where: short stacking energy: -4.225 Base-Backbone interact. energy: -0.004 local terms energy: -24.368702 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: 0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -28.446811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.446811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.446811 (E_RNA) where: Base-Base interactions energy: -6.847 where: short stacking energy: -6.847 Base-Backbone interact. energy: -0.042 local terms energy: -21.557669 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -0.347 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: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -39.333894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.333894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.333894 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.059 local terms energy: -27.732804 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -3.265 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: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -33.644185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.644185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.644185 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.071 local terms energy: -21.072115 where: bonds (distance) C4'-P energy: -4.767 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.750 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: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -36.968404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.968404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.968404 (E_RNA) where: Base-Base interactions energy: -13.685 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.001 local terms energy: -23.282868 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.530 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: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -33.771333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771333 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.000 local terms energy: -25.381667 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -35.957067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.957067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.957067 (E_RNA) where: Base-Base interactions energy: -7.100 where: short stacking energy: -7.100 Base-Backbone interact. energy: -0.996 local terms energy: -27.861955 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -29.999509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999509 (E_RNA) where: Base-Base interactions energy: -4.925 where: short stacking energy: -4.925 Base-Backbone interact. energy: -0.936 local terms energy: -24.138252 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -32.582825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.582825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.582825 (E_RNA) where: Base-Base interactions energy: -10.351 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.003 local terms energy: -22.228624 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -0.746 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: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -28.043705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.043705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.043705 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.769 Base-Backbone interact. energy: -0.012 local terms energy: -21.158490 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: 0.173 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: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -27.405495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.405495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.405495 (E_RNA) where: Base-Base interactions energy: -4.755 where: short stacking energy: -3.696 Base-Backbone interact. energy: -0.000 local terms energy: -22.650164 where: bonds (distance) C4'-P energy: -3.922 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -31.076796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.076796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.076796 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.032 local terms energy: -20.815111 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.404 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -40.762851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.762851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.762851 (E_RNA) where: Base-Base interactions energy: -12.005 where: short stacking energy: -12.005 Base-Backbone interact. energy: -0.000 local terms energy: -28.757619 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -5.609 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: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -40.481319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.481319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.481319 (E_RNA) where: Base-Base interactions energy: -13.498 where: short stacking energy: -13.498 Base-Backbone interact. energy: -0.000 local terms energy: -26.983489 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -39.936763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.936763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.936763 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.045 local terms energy: -28.486911 where: bonds (distance) C4'-P energy: -6.838 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -32.170246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170246 (E_RNA) where: Base-Base interactions energy: -5.954 where: short stacking energy: -5.778 Base-Backbone interact. energy: -0.013 local terms energy: -26.202967 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -32.434826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434826 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.100 local terms energy: -25.861512 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -2.007 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -29.931830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.931830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.931830 (E_RNA) where: Base-Base interactions energy: -10.545 where: short stacking energy: -10.545 Base-Backbone interact. energy: -0.049 local terms energy: -19.338584 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -28.750663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.750663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.750663 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.019 local terms energy: -18.821938 where: bonds (distance) C4'-P energy: -3.782 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -30.244922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.244922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.244922 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.205 local terms energy: -18.730006 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: 2.330 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: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -34.723693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723693 (E_RNA) where: Base-Base interactions energy: -8.710 where: short stacking energy: -8.710 Base-Backbone interact. energy: -0.000 local terms energy: -26.013615 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -29.007761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.007761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.007761 (E_RNA) where: Base-Base interactions energy: -8.322 where: short stacking energy: -8.322 Base-Backbone interact. energy: -0.010 local terms energy: -20.675864 where: bonds (distance) C4'-P energy: -4.349 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -2.042 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -37.364668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.364668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.364668 (E_RNA) where: Base-Base interactions energy: -10.979 where: short stacking energy: -10.979 Base-Backbone interact. energy: -0.076 local terms energy: -26.310305 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -1.548 tors. eta vs tors. theta energy: -4.708 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: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -41.708328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.708328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.708328 (E_RNA) where: Base-Base interactions energy: -15.322 where: short stacking energy: -15.322 Base-Backbone interact. energy: -0.000 local terms energy: -26.386497 where: bonds (distance) C4'-P energy: -5.209 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -3.675 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: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -37.772843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.772843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.772843 (E_RNA) where: Base-Base interactions energy: -11.683 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.005 local terms energy: -26.085464 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -1.784 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: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -35.841614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.841614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.841614 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.074 local terms energy: -25.026377 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -2.146 tors. eta vs tors. theta energy: -3.114 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: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -43.342635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.342635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.342635 (E_RNA) where: Base-Base interactions energy: -14.771 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.080 local terms energy: -28.491662 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -32.095243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.095243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.095243 (E_RNA) where: Base-Base interactions energy: -7.090 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.090 local terms energy: -24.915103 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.124 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -1.362 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: 238 Temperature: 1.200000 Total energy: -31.339006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339006 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -0.145 local terms energy: -24.513656 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -28.704170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.704170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.704170 (E_RNA) where: Base-Base interactions energy: -3.215 where: short stacking energy: -3.215 Base-Backbone interact. energy: -0.000 local terms energy: -25.488696 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -1.660 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: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -27.416482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.416482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.416482 (E_RNA) where: Base-Base interactions energy: -3.839 where: short stacking energy: -3.839 Base-Backbone interact. energy: -0.002 local terms energy: -23.575155 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.381 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: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -26.685522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.685522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.685522 (E_RNA) where: Base-Base interactions energy: -5.767 where: short stacking energy: -5.767 Base-Backbone interact. energy: -0.408 local terms energy: -20.511165 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -0.997 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -40.037427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.037427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.037427 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.323 Base-Backbone interact. energy: -0.045 local terms energy: -28.669383 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -37.133043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.133043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.133043 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.097 local terms energy: -24.462326 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -2.122 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: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -34.311181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311181 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.001 local terms energy: -27.394357 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -35.708964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.708964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.708964 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.000 local terms energy: -24.853116 where: bonds (distance) C4'-P energy: -4.199 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -2.526 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: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -32.557518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.557518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.557518 (E_RNA) where: Base-Base interactions energy: -6.000 where: short stacking energy: -6.000 Base-Backbone interact. energy: -0.012 local terms energy: -26.545572 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -28.028206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.028206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.028206 (E_RNA) where: Base-Base interactions energy: -4.562 where: short stacking energy: -4.562 Base-Backbone interact. energy: -0.096 local terms energy: -23.370000 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -3.253 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: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -30.152216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.152216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.152216 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.051 local terms energy: -23.865547 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.081 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -31.036609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.036609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.036609 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.084 Base-Backbone interact. energy: -0.001 local terms energy: -25.242974 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -3.473 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: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -34.041126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.041126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.041126 (E_RNA) where: Base-Base interactions energy: -8.012 where: short stacking energy: -8.012 Base-Backbone interact. energy: -0.000 local terms energy: -26.029483 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -3.209 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: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -29.469905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.469905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.469905 (E_RNA) where: Base-Base interactions energy: -11.178 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.016 local terms energy: -18.276362 where: bonds (distance) C4'-P energy: -1.856 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: 1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -41.525205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.525205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.525205 (E_RNA) where: Base-Base interactions energy: -13.687 where: short stacking energy: -13.687 Base-Backbone interact. energy: -0.001 local terms energy: -27.837571 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -43.237642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.237642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.237642 (E_RNA) where: Base-Base interactions energy: -15.334 where: short stacking energy: -15.334 Base-Backbone interact. energy: -0.005 local terms energy: -27.899005 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -34.593393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.593393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.593393 (E_RNA) where: Base-Base interactions energy: -10.587 where: short stacking energy: -10.587 Base-Backbone interact. energy: -0.000 local terms energy: -24.006440 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -32.758747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.758747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.758747 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.061 local terms energy: -21.823917 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: 0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -36.442303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.442303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.442303 (E_RNA) where: Base-Base interactions energy: -10.660 where: short stacking energy: -10.660 Base-Backbone interact. energy: -0.007 local terms energy: -25.774770 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -32.138900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138900 (E_RNA) where: Base-Base interactions energy: -5.923 where: short stacking energy: -5.923 Base-Backbone interact. energy: -0.001 local terms energy: -26.215572 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -32.006891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.006891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.006891 (E_RNA) where: Base-Base interactions energy: -6.598 where: short stacking energy: -6.798 Base-Backbone interact. energy: -0.082 local terms energy: -25.326620 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -1.540 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: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -31.542659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.542659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.542659 (E_RNA) where: Base-Base interactions energy: -6.994 where: short stacking energy: -6.994 Base-Backbone interact. energy: -0.030 local terms energy: -24.518430 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -31.021694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.021694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.021694 (E_RNA) where: Base-Base interactions energy: -9.616 where: short stacking energy: -9.616 Base-Backbone interact. energy: -0.025 local terms energy: -21.380689 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -1.181 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: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -32.027325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.027325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.027325 (E_RNA) where: Base-Base interactions energy: -7.683 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.000 local terms energy: -24.344725 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -39.257294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.257294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.257294 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.000 local terms energy: -26.598859 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -4.946 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: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -39.145635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.145635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.145635 (E_RNA) where: Base-Base interactions energy: -11.986 where: short stacking energy: -11.986 Base-Backbone interact. energy: -0.003 local terms energy: -27.156444 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -4.273 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -37.003125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.003125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.003125 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.105 local terms energy: -26.409427 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -2.597 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: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -32.677137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.677137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.677137 (E_RNA) where: Base-Base interactions energy: -4.419 where: short stacking energy: -4.419 Base-Backbone interact. energy: -0.084 local terms energy: -28.174017 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -35.047538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.047538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.047538 (E_RNA) where: Base-Base interactions energy: -7.384 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.001 local terms energy: -27.663224 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -3.284 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: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -28.385877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.385877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.385877 (E_RNA) where: Base-Base interactions energy: -4.001 where: short stacking energy: -4.001 Base-Backbone interact. energy: 0.415 local terms energy: -24.799780 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -1.314 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -37.062957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.062957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.062957 (E_RNA) where: Base-Base interactions energy: -15.368 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.002 local terms energy: -21.693383 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -32.278603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.278603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.278603 (E_RNA) where: Base-Base interactions energy: -4.177 where: short stacking energy: -3.200 Base-Backbone interact. energy: -0.003 local terms energy: -28.098739 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -2.065 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: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -27.103130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.103130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.103130 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.162 local terms energy: -19.896730 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: 3.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -27.045932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.045932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.045932 (E_RNA) where: Base-Base interactions energy: -5.761 where: short stacking energy: -5.761 Base-Backbone interact. energy: -0.113 local terms energy: -21.172099 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -36.526458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.526458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.526458 (E_RNA) where: Base-Base interactions energy: -12.491 where: short stacking energy: -12.491 Base-Backbone interact. energy: -0.000 local terms energy: -24.035158 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.263 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -38.933347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.933347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.933347 (E_RNA) where: Base-Base interactions energy: -11.783 where: short stacking energy: -11.783 Base-Backbone interact. energy: -0.000 local terms energy: -27.150800 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -34.876840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.876840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.876840 (E_RNA) where: Base-Base interactions energy: -10.441 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.094 local terms energy: -24.341798 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -3.131 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -36.999787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.999787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.999787 (E_RNA) where: Base-Base interactions energy: -11.873 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.013 local terms energy: -25.113899 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -34.981654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.981654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.981654 (E_RNA) where: Base-Base interactions energy: -10.916 where: short stacking energy: -10.916 Base-Backbone interact. energy: -0.000 local terms energy: -24.065796 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -4.666 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -32.035556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.035556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.035556 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -6.233 Base-Backbone interact. energy: -0.088 local terms energy: -25.714621 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -5.861 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: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -30.964804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.964804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.964804 (E_RNA) where: Base-Base interactions energy: -10.122 where: short stacking energy: -10.122 Base-Backbone interact. energy: -0.001 local terms energy: -20.842279 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -1.014 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -31.556697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.556697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.556697 (E_RNA) where: Base-Base interactions energy: -11.500 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.046 local terms energy: -20.010228 where: bonds (distance) C4'-P energy: -4.378 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -1.570 tors. eta vs tors. theta energy: -1.789 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: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -29.525046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.525046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.525046 (E_RNA) where: Base-Base interactions energy: -2.860 where: short stacking energy: -2.860 Base-Backbone interact. energy: -0.006 local terms energy: -26.659263 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.631 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: 242 Temperature: 1.350000 Total energy: -26.726284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.726284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.726284 (E_RNA) where: Base-Base interactions energy: -7.219 where: short stacking energy: -5.534 Base-Backbone interact. energy: -0.003 local terms energy: -19.503573 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -34.454704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.454704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.454704 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.913 local terms energy: -25.949354 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -36.820141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.820141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.820141 (E_RNA) where: Base-Base interactions energy: -11.929 where: short stacking energy: -11.929 Base-Backbone interact. energy: -0.247 local terms energy: -24.644106 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -36.433474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.433474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.433474 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.001 local terms energy: -22.207778 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -2.275 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: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -38.385127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385127 (E_RNA) where: Base-Base interactions energy: -9.102 where: short stacking energy: -9.102 Base-Backbone interact. energy: -0.001 local terms energy: -29.282224 where: bonds (distance) C4'-P energy: -3.881 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -5.414 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: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -36.286479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.286479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.286479 (E_RNA) where: Base-Base interactions energy: -6.132 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.063 local terms energy: -30.091837 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -31.669995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.669995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.669995 (E_RNA) where: Base-Base interactions energy: -10.294 where: short stacking energy: -10.294 Base-Backbone interact. energy: -0.073 local terms energy: -21.302372 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -2.043 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -32.646146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.646146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.646146 (E_RNA) where: Base-Base interactions energy: -8.264 where: short stacking energy: -8.264 Base-Backbone interact. energy: -0.012 local terms energy: -24.369512 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -29.876700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876700 (E_RNA) where: Base-Base interactions energy: -4.660 where: short stacking energy: -4.660 Base-Backbone interact. energy: -0.108 local terms energy: -25.109240 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -30.552750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.552750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.552750 (E_RNA) where: Base-Base interactions energy: -6.508 where: short stacking energy: -6.508 Base-Backbone interact. energy: -0.005 local terms energy: -24.039471 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -25.248896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.248896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.248896 (E_RNA) where: Base-Base interactions energy: -4.349 where: short stacking energy: -4.349 Base-Backbone interact. energy: -0.065 local terms energy: -20.834711 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: 0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -40.291835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.291835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.291835 (E_RNA) where: Base-Base interactions energy: -12.415 where: short stacking energy: -12.415 Base-Backbone interact. energy: -0.001 local terms energy: -27.875732 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -39.498907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.498907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.498907 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.002 local terms energy: -27.719195 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -0.671 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: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -34.594622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.594622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.594622 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.043 local terms energy: -23.135885 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -0.999 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: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -33.951892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.951892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.951892 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.086 local terms energy: -26.504268 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -2.112 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: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -36.564121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.564121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.564121 (E_RNA) where: Base-Base interactions energy: -12.328 where: short stacking energy: -12.328 Base-Backbone interact. energy: -0.000 local terms energy: -24.235822 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -40.338541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.338541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.338541 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.097 local terms energy: -25.672180 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -4.034 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: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -35.347809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.347809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.347809 (E_RNA) where: Base-Base interactions energy: -8.146 where: short stacking energy: -8.146 Base-Backbone interact. energy: -0.000 local terms energy: -27.201375 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -32.014591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014591 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.046 local terms energy: -24.838094 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.747 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: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -27.490249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.490249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.490249 (E_RNA) where: Base-Base interactions energy: -5.460 where: short stacking energy: -5.460 Base-Backbone interact. energy: -0.147 local terms energy: -21.883716 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: 1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -29.773744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.773744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.773744 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.000 local terms energy: -22.455587 where: bonds (distance) C4'-P energy: -3.107 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.302 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: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -44.429419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.429419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.429419 (E_RNA) where: Base-Base interactions energy: -14.143 where: short stacking energy: -14.143 Base-Backbone interact. energy: -0.026 local terms energy: -30.260412 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -3.986 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: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -42.437962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.437962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.437962 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.000 local terms energy: -29.821158 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -32.434579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434579 (E_RNA) where: Base-Base interactions energy: -9.200 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.021 local terms energy: -23.212911 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -6.043 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: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -33.141804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.141804 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.042 local terms energy: -25.452591 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -35.688235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.688235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.688235 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.362 Base-Backbone interact. energy: -0.001 local terms energy: -28.326082 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -38.781843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.781843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.781843 (E_RNA) where: Base-Base interactions energy: -14.244 where: short stacking energy: -14.244 Base-Backbone interact. energy: -0.000 local terms energy: -24.538005 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -2.648 tors. eta vs tors. theta energy: -3.573 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: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -30.669498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.669498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.669498 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.034 local terms energy: -22.356694 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -1.093 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: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -30.061743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.061743 (E_RNA) where: Base-Base interactions energy: -4.017 where: short stacking energy: -4.017 Base-Backbone interact. energy: -0.076 local terms energy: -25.968258 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -28.796103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.796103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.796103 (E_RNA) where: Base-Base interactions energy: -3.738 where: short stacking energy: -3.738 Base-Backbone interact. energy: -0.000 local terms energy: -25.058035 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -0.718 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: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -26.759851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.759851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.759851 (E_RNA) where: Base-Base interactions energy: -1.582 where: short stacking energy: -1.582 Base-Backbone interact. energy: -0.001 local terms energy: -25.177391 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -0.876 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: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -37.417321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.417321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.417321 (E_RNA) where: Base-Base interactions energy: -12.700 where: short stacking energy: -12.700 Base-Backbone interact. energy: -0.012 local terms energy: -24.705464 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -42.722374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.722374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.722374 (E_RNA) where: Base-Base interactions energy: -14.092 where: short stacking energy: -14.092 Base-Backbone interact. energy: -0.001 local terms energy: -28.629036 where: bonds (distance) C4'-P energy: -6.816 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -2.977 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: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -38.478868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478868 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -12.060 Base-Backbone interact. energy: -0.091 local terms energy: -25.550435 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -3.308 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: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -31.974524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.974524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.974524 (E_RNA) where: Base-Base interactions energy: -6.947 where: short stacking energy: -6.947 Base-Backbone interact. energy: -0.017 local terms energy: -25.010576 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -2.346 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -30.398195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.398195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.398195 (E_RNA) where: Base-Base interactions energy: -5.505 where: short stacking energy: -5.505 Base-Backbone interact. energy: -0.117 local terms energy: -24.776043 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -0.461 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: 246 Temperature: 1.150000 Total energy: -30.885604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.885604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.885604 (E_RNA) where: Base-Base interactions energy: -7.784 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.084 local terms energy: -23.018440 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -32.744968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.744968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.744968 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.001 local terms energy: -21.008309 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -32.587278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.587278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.587278 (E_RNA) where: Base-Base interactions energy: -7.211 where: short stacking energy: -7.211 Base-Backbone interact. energy: -0.002 local terms energy: -25.373982 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -27.148045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.148045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.148045 (E_RNA) where: Base-Base interactions energy: -5.473 where: short stacking energy: -5.473 Base-Backbone interact. energy: -0.092 local terms energy: -21.583924 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: 0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -31.268624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.268624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.268624 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.000 local terms energy: -22.369845 where: bonds (distance) C4'-P energy: -4.543 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -3.616 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: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -38.237787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.237787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.237787 (E_RNA) where: Base-Base interactions energy: -9.396 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.075 local terms energy: -28.766955 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -35.607673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.607673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.607673 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.253 local terms energy: -25.111790 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -37.721670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.721670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.721670 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.045 local terms energy: -27.368063 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -34.370788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.370788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.370788 (E_RNA) where: Base-Base interactions energy: -11.139 where: short stacking energy: -11.139 Base-Backbone interact. energy: -0.019 local terms energy: -23.212657 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -32.417294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.417294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.417294 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.026 local terms energy: -24.400116 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -31.318794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.318794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.318794 (E_RNA) where: Base-Base interactions energy: -6.220 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.174 local terms energy: -24.925033 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: 1.206 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: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -30.168873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.168873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.168873 (E_RNA) where: Base-Base interactions energy: -6.725 where: short stacking energy: -7.125 Base-Backbone interact. energy: -0.088 local terms energy: -23.356084 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -0.123 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -33.900649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.900649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.900649 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.000 local terms energy: -23.808941 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: 1.354 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: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -34.689840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.689840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.689840 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.085 local terms energy: -23.593087 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -1.950 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -27.964664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.964664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.964664 (E_RNA) where: Base-Base interactions energy: -6.616 where: short stacking energy: -6.616 Base-Backbone interact. energy: -0.225 local terms energy: -21.123430 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -2.569 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -38.096861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.096861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.096861 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.067 local terms energy: -27.876729 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -38.705769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.705769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.705769 (E_RNA) where: Base-Base interactions energy: -11.805 where: short stacking energy: -11.805 Base-Backbone interact. energy: -0.007 local terms energy: -26.893475 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -1.880 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: 248 Temperature: 1.000000 Total energy: -39.056023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.056023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.056023 (E_RNA) where: Base-Base interactions energy: -11.636 where: short stacking energy: -11.636 Base-Backbone interact. energy: -0.127 local terms energy: -27.293551 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -38.166159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.166159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.166159 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.050 local terms energy: -24.998947 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -33.230676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230676 (E_RNA) where: Base-Base interactions energy: -8.552 where: short stacking energy: -8.552 Base-Backbone interact. energy: -0.006 local terms energy: -24.672431 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -2.517 tors. eta vs tors. theta energy: -1.630 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: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -36.752231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.752231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.752231 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.030 local terms energy: -26.236440 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -36.001951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.001951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.001951 (E_RNA) where: Base-Base interactions energy: -12.367 where: short stacking energy: -12.367 Base-Backbone interact. energy: -0.009 local terms energy: -23.625579 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: -1.517 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: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -27.351847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.351847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.351847 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -7.851 Base-Backbone interact. energy: -0.001 local terms energy: -19.499522 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: 0.673 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: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -26.265269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.265269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.265269 (E_RNA) where: Base-Base interactions energy: -7.895 where: short stacking energy: -7.895 Base-Backbone interact. energy: -0.000 local terms energy: -18.370116 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -2.947 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -30.816766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.816766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.816766 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.000 local terms energy: -22.186572 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -0.220 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: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -37.760875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.760875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.760875 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.008 local terms energy: -25.496327 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -44.124067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.124067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.124067 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.067 local terms energy: -29.378808 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -33.558497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558497 (E_RNA) where: Base-Base interactions energy: -8.169 where: short stacking energy: -8.169 Base-Backbone interact. energy: -0.012 local terms energy: -25.378046 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.006 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: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -38.167699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.167699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.167699 (E_RNA) where: Base-Base interactions energy: -13.622 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.000 local terms energy: -24.545150 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -4.486 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -35.274167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.274167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.274167 (E_RNA) where: Base-Base interactions energy: -11.500 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.186 local terms energy: -23.588578 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 0.993 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -31.650894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.650894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.650894 (E_RNA) where: Base-Base interactions energy: -6.594 where: short stacking energy: -5.876 Base-Backbone interact. energy: -0.002 local terms energy: -25.055380 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -1.626 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: 7, replica: 2 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -38.490543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.490543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.490543 (E_RNA) where: Base-Base interactions energy: -12.843 where: short stacking energy: -12.843 Base-Backbone interact. energy: -0.003 local terms energy: -25.644168 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -4.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -30.661134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.661134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.661134 (E_RNA) where: Base-Base interactions energy: -5.953 where: short stacking energy: -5.953 Base-Backbone interact. energy: -0.385 local terms energy: -24.323557 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -31.440698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.440698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.440698 (E_RNA) where: Base-Base interactions energy: -8.533 where: short stacking energy: -6.630 Base-Backbone interact. energy: -0.030 local terms energy: -22.877421 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -0.997 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: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -30.138937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.138937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.138937 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.003 local terms energy: -22.694056 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: 0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -37.133184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.133184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.133184 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.003 local terms energy: -26.131557 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -2.717 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: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -39.725060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725060 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.000 local terms energy: -29.597742 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -39.716993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.716993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.716993 (E_RNA) where: Base-Base interactions energy: -11.768 where: short stacking energy: -11.768 Base-Backbone interact. energy: -0.007 local terms energy: -27.942649 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -33.337530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.337530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.337530 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.001 local terms energy: -22.629552 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -34.661049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.661049 (E_RNA) where: Base-Base interactions energy: -10.085 where: short stacking energy: -10.085 Base-Backbone interact. energy: -0.087 local terms energy: -24.489004 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -34.261121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.261121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.261121 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.140 local terms energy: -25.399294 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -33.537104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.537104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.537104 (E_RNA) where: Base-Base interactions energy: -6.714 where: short stacking energy: -6.714 Base-Backbone interact. energy: -0.000 local terms energy: -26.822928 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -5.070 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: 8, replica: 2 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -31.938112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.938112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.938112 (E_RNA) where: Base-Base interactions energy: -9.327 where: short stacking energy: -9.327 Base-Backbone interact. energy: 0.243 local terms energy: -22.853647 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -3.600 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: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -27.687867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.687867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.687867 (E_RNA) where: Base-Base interactions energy: -4.253 where: short stacking energy: -4.253 Base-Backbone interact. energy: -0.000 local terms energy: -23.435012 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -4.925 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: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -27.275058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.275058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.275058 (E_RNA) where: Base-Base interactions energy: -2.895 where: short stacking energy: -2.895 Base-Backbone interact. energy: -0.002 local terms energy: -24.378084 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -0.036 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: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -38.583048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.583048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.583048 (E_RNA) where: Base-Base interactions energy: -12.654 where: short stacking energy: -12.654 Base-Backbone interact. energy: -0.000 local terms energy: -25.928376 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -35.558579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.558579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.558579 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.047 local terms energy: -25.162965 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -39.634682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.634682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.634682 (E_RNA) where: Base-Base interactions energy: -12.407 where: short stacking energy: -12.407 Base-Backbone interact. energy: -0.000 local terms energy: -27.228167 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -4.564 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: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -33.404045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.404045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.404045 (E_RNA) where: Base-Base interactions energy: -11.475 where: short stacking energy: -11.475 Base-Backbone interact. energy: -0.004 local terms energy: -21.925277 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -1.199 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -32.302149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.302149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.302149 (E_RNA) where: Base-Base interactions energy: -11.442 where: short stacking energy: -11.442 Base-Backbone interact. energy: -0.000 local terms energy: -20.859984 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.705 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: 6, replica: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -34.082944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082944 (E_RNA) where: Base-Base interactions energy: -5.858 where: short stacking energy: -5.858 Base-Backbone interact. energy: -0.125 local terms energy: -28.100082 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -35.709858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.709858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.709858 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.009 local terms energy: -24.989865 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.852 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: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -34.238680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.238680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.238680 (E_RNA) where: Base-Base interactions energy: -8.644 where: short stacking energy: -8.644 Base-Backbone interact. energy: -0.130 local terms energy: -25.464704 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -3.203 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: 251 Temperature: 1.300000 Total energy: -29.554205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.554205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.554205 (E_RNA) where: Base-Base interactions energy: -5.551 where: short stacking energy: -5.551 Base-Backbone interact. energy: -0.000 local terms energy: -24.003499 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -33.535187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.535187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.535187 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.027 local terms energy: -26.142211 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -2.602 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: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -42.066792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.066792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.066792 (E_RNA) where: Base-Base interactions energy: -13.394 where: short stacking energy: -13.394 Base-Backbone interact. energy: -0.000 local terms energy: -28.673244 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -39.779335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.779335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.779335 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.026 local terms energy: -26.863992 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -32.122605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.122605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.122605 (E_RNA) where: Base-Base interactions energy: -7.512 where: short stacking energy: -7.512 Base-Backbone interact. energy: -0.011 local terms energy: -24.599793 where: bonds (distance) C4'-P energy: -4.776 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.440 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: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -38.336629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.336629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.336629 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.001 local terms energy: -26.981970 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -2.886 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -32.337472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.337472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.337472 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -7.103 Base-Backbone interact. energy: -0.000 local terms energy: -25.234087 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -3.452 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -31.672652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.672652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.672652 (E_RNA) where: Base-Base interactions energy: -6.858 where: short stacking energy: -6.858 Base-Backbone interact. energy: -0.001 local terms energy: -24.812936 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -3.499 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: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -29.728381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.728381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.728381 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.069 local terms energy: -19.961730 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -2.850 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: -2.085 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: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -31.265291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.265291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.265291 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.085 local terms energy: -22.577825 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -1.464 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: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -29.237531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.237531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.237531 (E_RNA) where: Base-Base interactions energy: -6.044 where: short stacking energy: -6.044 Base-Backbone interact. energy: -0.093 local terms energy: -23.100143 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: 2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -30.269031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.269031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.269031 (E_RNA) where: Base-Base interactions energy: -8.135 where: short stacking energy: -8.135 Base-Backbone interact. energy: -0.098 local terms energy: -22.035955 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -41.190146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.190146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.190146 (E_RNA) where: Base-Base interactions energy: -13.723 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.069 local terms energy: -27.397858 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -37.043790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.043790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.043790 (E_RNA) where: Base-Base interactions energy: -14.438 where: short stacking energy: -14.438 Base-Backbone interact. energy: -0.002 local terms energy: -22.603787 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -1.654 tors. eta vs tors. theta energy: -1.547 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: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -34.920149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.920149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.920149 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.716 local terms energy: -23.306940 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -1.157 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: 253 Temperature: 1.050000 Total energy: -36.398581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.398581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.398581 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.502 Base-Backbone interact. energy: -0.000 local terms energy: -23.896853 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -29.575368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.575368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.575368 (E_RNA) where: Base-Base interactions energy: -7.054 where: short stacking energy: -7.054 Base-Backbone interact. energy: -0.001 local terms energy: -22.520409 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.121 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: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -33.299774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299774 (E_RNA) where: Base-Base interactions energy: -9.798 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.000 local terms energy: -23.501451 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -2.722 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: 253 Temperature: 1.200000 Total energy: -36.614912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.614912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.614912 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.000 local terms energy: -25.837699 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -25.796913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796913 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.103 local terms energy: -21.750742 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: 2.074 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: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -32.146746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.146746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.146746 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -0.052 local terms energy: -20.920202 where: bonds (distance) C4'-P energy: -5.271 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -31.514857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.514857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.514857 (E_RNA) where: Base-Base interactions energy: -10.441 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.004 local terms energy: -21.069786 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -2.082 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -40.740994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.740994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.740994 (E_RNA) where: Base-Base interactions energy: -10.761 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.000 local terms energy: -29.980032 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -35.135419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.135419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.135419 (E_RNA) where: Base-Base interactions energy: -7.454 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.000 local terms energy: -27.681334 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -38.817221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.817221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.817221 (E_RNA) where: Base-Base interactions energy: -10.121 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.000 local terms energy: -28.695499 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -39.189110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.189110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.189110 (E_RNA) where: Base-Base interactions energy: -12.252 where: short stacking energy: -12.252 Base-Backbone interact. energy: -0.002 local terms energy: -26.934990 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -30.694883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.694883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.694883 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.126 local terms energy: -23.615977 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -1.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -33.588894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.588894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.588894 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.001 local terms energy: -25.103762 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -30.162762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.162762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.162762 (E_RNA) where: Base-Base interactions energy: -5.731 where: short stacking energy: -5.566 Base-Backbone interact. energy: -0.020 local terms energy: -24.411871 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -35.656420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656420 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: -0.120 local terms energy: -23.866725 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -0.800 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: 254 Temperature: 1.300000 Total energy: -28.250429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.250429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.250429 (E_RNA) where: Base-Base interactions energy: -5.103 where: short stacking energy: -5.103 Base-Backbone interact. energy: -0.109 local terms energy: -23.038990 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -26.848795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.848795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.848795 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.056 local terms energy: -19.920365 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -37.929772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.929772 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.033 local terms energy: -26.611053 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -2.195 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: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -31.088567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.088567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.088567 (E_RNA) where: Base-Base interactions energy: -6.787 where: short stacking energy: -6.787 Base-Backbone interact. energy: 0.110 local terms energy: -24.411233 where: bonds (distance) C4'-P energy: -7.148 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: 1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -39.999373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.999373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.999373 (E_RNA) where: Base-Base interactions energy: -13.140 where: short stacking energy: -13.140 Base-Backbone interact. energy: -0.000 local terms energy: -26.859040 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -37.779964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.779964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.779964 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.004 local terms energy: -27.850157 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -32.359953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.359953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.359953 (E_RNA) where: Base-Base interactions energy: -10.012 where: short stacking energy: -10.012 Base-Backbone interact. energy: -0.001 local terms energy: -22.346230 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -31.914639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.914639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.914639 (E_RNA) where: Base-Base interactions energy: -11.352 where: short stacking energy: -11.352 Base-Backbone interact. energy: -0.039 local terms energy: -20.523291 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -2.315 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -32.240440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.240440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.240440 (E_RNA) where: Base-Base interactions energy: -9.266 where: short stacking energy: -9.266 Base-Backbone interact. energy: -0.006 local terms energy: -22.968262 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -27.965095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.965095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.965095 (E_RNA) where: Base-Base interactions energy: -2.789 where: short stacking energy: -2.789 Base-Backbone interact. energy: 0.012 local terms energy: -25.188084 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -28.293135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.293135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.293135 (E_RNA) where: Base-Base interactions energy: -3.741 where: short stacking energy: -3.741 Base-Backbone interact. energy: -0.028 local terms energy: -24.524228 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -26.777970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.777970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.777970 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.007 local terms energy: -19.673452 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: 0.441 tors. eta vs tors. theta energy: -2.725 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: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -40.686453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.686453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.686453 (E_RNA) where: Base-Base interactions energy: -11.577 where: short stacking energy: -11.577 Base-Backbone interact. energy: 0.359 local terms energy: -29.468305 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -4.882 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: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -38.125550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.125550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.125550 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.013 local terms energy: -26.111662 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -2.779 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: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -33.377120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.377120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.377120 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.033 local terms energy: -23.283862 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -30.553100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.553100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.553100 (E_RNA) where: Base-Base interactions energy: -6.854 where: short stacking energy: -6.854 Base-Backbone interact. energy: -0.004 local terms energy: -23.694821 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -0.319 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -40.702764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.702764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.702764 (E_RNA) where: Base-Base interactions energy: -13.954 where: short stacking energy: -13.954 Base-Backbone interact. energy: -1.006 local terms energy: -25.742457 where: bonds (distance) C4'-P energy: -6.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -33.507632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.507632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.507632 (E_RNA) where: Base-Base interactions energy: -10.024 where: short stacking energy: -10.024 Base-Backbone interact. energy: -0.000 local terms energy: -23.482992 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.396 tors. eta vs tors. theta energy: -0.852 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: 2 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -33.109723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.109723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.109723 (E_RNA) where: Base-Base interactions energy: -8.650 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.010 local terms energy: -24.449172 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -27.856407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.856407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.856407 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.005 local terms energy: -20.127353 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -31.063452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.063452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.063452 (E_RNA) where: Base-Base interactions energy: -7.015 where: short stacking energy: -7.015 Base-Backbone interact. energy: -0.002 local terms energy: -24.046615 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -5.021 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: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -32.447988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.447988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.447988 (E_RNA) where: Base-Base interactions energy: -9.596 where: short stacking energy: -9.596 Base-Backbone interact. energy: -0.043 local terms energy: -22.809388 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -1.251 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: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -39.125197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.125197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.125197 (E_RNA) where: Base-Base interactions energy: -12.663 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.001 local terms energy: -26.460932 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -3.374 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: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -38.016490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016490 (E_RNA) where: Base-Base interactions energy: -11.114 where: short stacking energy: -11.114 Base-Backbone interact. energy: -0.009 local terms energy: -26.893863 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -2.553 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -41.881157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.881157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.881157 (E_RNA) where: Base-Base interactions energy: -14.884 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.000 local terms energy: -26.997575 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -39.391989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.391989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.391989 (E_RNA) where: Base-Base interactions energy: -10.603 where: short stacking energy: -10.603 Base-Backbone interact. energy: -0.102 local terms energy: -28.687048 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -3.775 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: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -35.446845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.446845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.446845 (E_RNA) where: Base-Base interactions energy: -13.375 where: short stacking energy: -9.233 Base-Backbone interact. energy: -0.055 local terms energy: -22.016470 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -30.990896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.990896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.990896 (E_RNA) where: Base-Base interactions energy: -8.827 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.025 local terms energy: -22.139152 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: 0.163 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: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -31.200242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.200242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.200242 (E_RNA) where: Base-Base interactions energy: -6.710 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.519 local terms energy: -23.971404 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: 1.818 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: 257 Temperature: 1.250000 Total energy: -31.613428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613428 (E_RNA) where: Base-Base interactions energy: -8.007 where: short stacking energy: -8.007 Base-Backbone interact. energy: -0.002 local terms energy: -23.604042 where: bonds (distance) C4'-P energy: -4.209 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -26.551605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.551605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.551605 (E_RNA) where: Base-Base interactions energy: -3.593 where: short stacking energy: -3.593 Base-Backbone interact. energy: -0.195 local terms energy: -22.763702 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -28.776645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776645 (E_RNA) where: Base-Base interactions energy: -4.425 where: short stacking energy: -4.425 Base-Backbone interact. energy: -0.004 local terms energy: -24.347633 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -36.568779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.568779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.568779 (E_RNA) where: Base-Base interactions energy: -11.794 where: short stacking energy: -11.794 Base-Backbone interact. energy: -0.008 local terms energy: -24.766610 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -38.629956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.629956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.629956 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -13.081 Base-Backbone interact. energy: -0.006 local terms energy: -25.543694 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -35.196992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.196992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.196992 (E_RNA) where: Base-Base interactions energy: -11.888 where: short stacking energy: -11.888 Base-Backbone interact. energy: -0.045 local terms energy: -23.263961 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -32.914548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.914548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.914548 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.021 local terms energy: -24.938617 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -0.404 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: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -32.081803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.081803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.081803 (E_RNA) where: Base-Base interactions energy: -10.152 where: short stacking energy: -10.152 Base-Backbone interact. energy: 2.903 local terms energy: -24.832222 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -0.912 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: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -29.971849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.971849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.971849 (E_RNA) where: Base-Base interactions energy: -5.520 where: short stacking energy: -5.520 Base-Backbone interact. energy: -0.045 local terms energy: -24.407050 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.854 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: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -30.680175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.680175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.680175 (E_RNA) where: Base-Base interactions energy: -6.316 where: short stacking energy: -6.316 Base-Backbone interact. energy: -0.048 local terms energy: -24.316263 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -3.670 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -3.908 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: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -34.492349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.492349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.492349 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -10.125 Base-Backbone interact. energy: -0.000 local terms energy: -24.367652 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -29.951743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.951743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.951743 (E_RNA) where: Base-Base interactions energy: -5.528 where: short stacking energy: -5.528 Base-Backbone interact. energy: -0.000 local terms energy: -24.423600 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -28.874978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.874978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.874978 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.001 local terms energy: -19.203228 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -3.227 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: 0.381 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: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -36.823860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.823860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.823860 (E_RNA) where: Base-Base interactions energy: -10.950 where: short stacking energy: -10.950 Base-Backbone interact. energy: -0.217 local terms energy: -25.656449 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -43.446244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.446244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.446244 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -12.751 Base-Backbone interact. energy: -0.000 local terms energy: -30.694745 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -36.723872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.723872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.723872 (E_RNA) where: Base-Base interactions energy: -10.926 where: short stacking energy: -10.926 Base-Backbone interact. energy: -0.025 local terms energy: -25.772809 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -31.418803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.418803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.418803 (E_RNA) where: Base-Base interactions energy: -5.668 where: short stacking energy: -5.668 Base-Backbone interact. energy: -0.480 local terms energy: -25.271523 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -1.550 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: 259 Temperature: 1.100000 Total energy: -31.779321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.779321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.779321 (E_RNA) where: Base-Base interactions energy: -6.549 where: short stacking energy: -6.118 Base-Backbone interact. energy: -0.103 local terms energy: -25.127621 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -35.237032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.237032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.237032 (E_RNA) where: Base-Base interactions energy: -11.226 where: short stacking energy: -11.226 Base-Backbone interact. energy: -0.009 local terms energy: -24.002505 where: bonds (distance) C4'-P energy: -5.425 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -2.053 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: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -30.960478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.960478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.960478 (E_RNA) where: Base-Base interactions energy: -8.005 where: short stacking energy: -8.005 Base-Backbone interact. energy: -0.100 local terms energy: -22.854759 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -0.722 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: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -32.049668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.049668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.049668 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.000 local terms energy: -22.759120 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -4.034 flat angles C4'-P-C4' energy: -2.727 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -3.079 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: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -30.929122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.929122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.929122 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: 0.849 local terms energy: -24.857425 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -2.958 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: 10, replica: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -32.713179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.713179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.713179 (E_RNA) where: Base-Base interactions energy: -6.753 where: short stacking energy: -6.753 Base-Backbone interact. energy: -0.004 local terms energy: -25.956256 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -43.290678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290678 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.086 local terms energy: -29.619870 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -2.098 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -43.038366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.038366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.038366 (E_RNA) where: Base-Base interactions energy: -14.911 where: short stacking energy: -14.911 Base-Backbone interact. energy: -0.000 local terms energy: -28.127641 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -35.296093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.296093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.296093 (E_RNA) where: Base-Base interactions energy: -12.146 where: short stacking energy: -12.146 Base-Backbone interact. energy: -0.063 local terms energy: -23.087311 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -0.628 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: 260 Temperature: 1.050000 Total energy: -34.723072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.723072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.723072 (E_RNA) where: Base-Base interactions energy: -8.148 where: short stacking energy: -8.148 Base-Backbone interact. energy: -0.098 local terms energy: -26.477288 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -2.413 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: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -37.834658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.834658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.834658 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.000 local terms energy: -25.992492 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.782 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -28.229173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.229173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.229173 (E_RNA) where: Base-Base interactions energy: -4.372 where: short stacking energy: -4.372 Base-Backbone interact. energy: -0.168 local terms energy: -23.689722 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: 1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -31.122230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.122230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.122230 (E_RNA) where: Base-Base interactions energy: -3.813 where: short stacking energy: -3.813 Base-Backbone interact. energy: 0.213 local terms energy: -27.522620 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -6.693 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: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -34.278942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.278942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.278942 (E_RNA) where: Base-Base interactions energy: -7.360 where: short stacking energy: -6.545 Base-Backbone interact. energy: -1.021 local terms energy: -25.898274 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -1.004 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: 260 Temperature: 1.300000 Total energy: -33.648762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.648762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.648762 (E_RNA) where: Base-Base interactions energy: -10.294 where: short stacking energy: -10.294 Base-Backbone interact. energy: -0.013 local terms energy: -23.341829 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -28.578363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.578363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.578363 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.020 local terms energy: -21.807876 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -35.060236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.060236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.060236 (E_RNA) where: Base-Base interactions energy: -10.821 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.071 local terms energy: -24.167900 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: 0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -38.003153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.003153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.003153 (E_RNA) where: Base-Base interactions energy: -11.186 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.720 local terms energy: -26.096647 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -2.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -36.909086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.909086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.909086 (E_RNA) where: Base-Base interactions energy: -9.513 where: short stacking energy: -9.513 Base-Backbone interact. energy: -0.004 local terms energy: -27.392966 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.191 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: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -33.316599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.316599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.316599 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.046 local terms energy: -22.109923 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -33.972320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.972320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.972320 (E_RNA) where: Base-Base interactions energy: -5.567 where: short stacking energy: -5.567 Base-Backbone interact. energy: -0.001 local terms energy: -28.404365 where: bonds (distance) C4'-P energy: -4.610 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -6.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -33.791007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791007 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.032 local terms energy: -26.962401 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -1.406 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: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -30.919667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919667 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.409 Base-Backbone interact. energy: -0.066 local terms energy: -20.444800 where: bonds (distance) C4'-P energy: -2.113 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -34.096186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.096186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.096186 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.196 Base-Backbone interact. energy: -0.029 local terms energy: -23.871122 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -1.314 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: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -29.696363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.696363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.696363 (E_RNA) where: Base-Base interactions energy: -9.800 where: short stacking energy: -9.800 Base-Backbone interact. energy: -0.037 local terms energy: -19.858791 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.392 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: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -32.556687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.556687 (E_RNA) where: Base-Base interactions energy: -10.674 where: short stacking energy: -10.674 Base-Backbone interact. energy: 0.117 local terms energy: -21.999844 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -38.873982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.873982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.873982 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.000 local terms energy: -27.243265 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -34.844348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.844348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.844348 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.175 local terms energy: -27.416869 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -2.784 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -36.552466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.552466 (E_RNA) where: Base-Base interactions energy: -9.853 where: short stacking energy: -9.853 Base-Backbone interact. energy: -0.064 local terms energy: -26.635222 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -5.905 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: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -38.433557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.433557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.433557 (E_RNA) where: Base-Base interactions energy: -14.099 where: short stacking energy: -14.099 Base-Backbone interact. energy: -0.112 local terms energy: -24.222392 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -2.234 tors. eta vs tors. theta energy: -1.766 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: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -33.578191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.578191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.578191 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.007 local terms energy: -24.734303 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -1.430 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -28.370740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.370740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.370740 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: -4.692 Base-Backbone interact. energy: -0.003 local terms energy: -23.676122 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -33.227167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.227167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.227167 (E_RNA) where: Base-Base interactions energy: -8.486 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.230 local terms energy: -24.511059 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -0.745 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -37.952892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.952892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.952892 (E_RNA) where: Base-Base interactions energy: -15.636 where: short stacking energy: -13.968 Base-Backbone interact. energy: -0.089 local terms energy: -22.227804 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -0.862 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: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -28.510792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.510792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.510792 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: -3.054 Base-Backbone interact. energy: -0.098 local terms energy: -25.358520 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -36.311752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.311752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.311752 (E_RNA) where: Base-Base interactions energy: -10.396 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.085 local terms energy: -25.830264 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -39.533066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.533066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.533066 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.000 local terms energy: -28.188720 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -5.021 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: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -36.330743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.330743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.330743 (E_RNA) where: Base-Base interactions energy: -9.986 where: short stacking energy: -8.234 Base-Backbone interact. energy: 1.865 local terms energy: -28.210181 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -42.899053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.899053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.899053 (E_RNA) where: Base-Base interactions energy: -15.667 where: short stacking energy: -15.667 Base-Backbone interact. energy: -0.000 local terms energy: -27.232388 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -35.556011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.556011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.556011 (E_RNA) where: Base-Base interactions energy: -13.145 where: short stacking energy: -13.145 Base-Backbone interact. energy: -0.000 local terms energy: -22.410639 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -3.268 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: 5, replica: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -30.718156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.718156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.718156 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: -4.749 Base-Backbone interact. energy: -0.021 local terms energy: -25.948941 where: bonds (distance) C4'-P energy: -4.929 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -32.994515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.994515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.994515 (E_RNA) where: Base-Base interactions energy: -6.658 where: short stacking energy: -6.658 Base-Backbone interact. energy: -0.014 local terms energy: -26.322215 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -35.850640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.850640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.850640 (E_RNA) where: Base-Base interactions energy: -14.257 where: short stacking energy: -12.151 Base-Backbone interact. energy: -0.368 local terms energy: -21.224968 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: -2.136 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -29.147691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.147691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.147691 (E_RNA) where: Base-Base interactions energy: -2.994 where: short stacking energy: -2.994 Base-Backbone interact. energy: -0.055 local terms energy: -26.098818 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -31.127304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.127304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.127304 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.001 local terms energy: -23.359893 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -29.503141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.503141 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.010 local terms energy: -22.567109 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -1.336 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: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -38.742523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.742523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.742523 (E_RNA) where: Base-Base interactions energy: -10.433 where: short stacking energy: -10.433 Base-Backbone interact. energy: -0.048 local terms energy: -28.261969 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -2.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -39.580948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.580948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.580948 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -11.869 Base-Backbone interact. energy: -0.001 local terms energy: -27.576004 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -1.491 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: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -32.768798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.768798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.768798 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.028 local terms energy: -25.671781 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -36.659163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.659163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.659163 (E_RNA) where: Base-Base interactions energy: -9.726 where: short stacking energy: -9.726 Base-Backbone interact. energy: -0.002 local terms energy: -26.931256 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -33.063610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.063610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.063610 (E_RNA) where: Base-Base interactions energy: -8.362 where: short stacking energy: -8.362 Base-Backbone interact. energy: -0.001 local terms energy: -24.700868 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -33.395883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.395883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.395883 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.030 local terms energy: -23.063744 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -4.355 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -32.640204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.640204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.640204 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.021 local terms energy: -21.409518 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -0.944 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: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -28.715647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.715647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.715647 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.105 local terms energy: -21.039634 where: bonds (distance) C4'-P energy: -4.324 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -1.074 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: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -31.361639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361639 (E_RNA) where: Base-Base interactions energy: -9.069 where: short stacking energy: -9.069 Base-Backbone interact. energy: -0.047 local terms energy: -22.245412 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -0.106 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: 264 Temperature: 1.350000 Total energy: -28.409232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.409232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.409232 (E_RNA) where: Base-Base interactions energy: -6.788 where: short stacking energy: -6.788 Base-Backbone interact. energy: -0.002 local terms energy: -21.618868 where: bonds (distance) C4'-P energy: -5.040 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -0.951 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: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -39.480050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.480050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.480050 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.000 local terms energy: -32.427080 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -4.914 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: 265 Temperature: 0.950000 Total energy: -40.148166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.148166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.148166 (E_RNA) where: Base-Base interactions energy: -13.141 where: short stacking energy: -13.141 Base-Backbone interact. energy: -0.000 local terms energy: -27.007198 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -34.087531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.087531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.087531 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.041 local terms energy: -23.303055 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -0.929 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: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -36.627100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627100 (E_RNA) where: Base-Base interactions energy: -9.894 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.011 local terms energy: -26.722561 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -35.629416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.629416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.629416 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: 0.477 local terms energy: -24.543937 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -3.397 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -32.918047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918047 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.001 local terms energy: -25.641084 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -4.975 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: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -33.546550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.546550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.546550 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.002 local terms energy: -22.794325 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -29.788844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.788844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.788844 (E_RNA) where: Base-Base interactions energy: -1.870 where: short stacking energy: -1.870 Base-Backbone interact. energy: -0.125 local terms energy: -27.793131 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -32.004973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.004973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.004973 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -22.567771 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -1.798 tors. eta vs tors. theta energy: -3.412 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: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -26.192662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.192662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.192662 (E_RNA) where: Base-Base interactions energy: -2.695 where: short stacking energy: -2.695 Base-Backbone interact. energy: -0.102 local terms energy: -23.395872 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.729 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: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -37.186187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.186187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.186187 (E_RNA) where: Base-Base interactions energy: -10.175 where: short stacking energy: -10.175 Base-Backbone interact. energy: -0.099 local terms energy: -26.911522 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -35.850374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.850374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.850374 (E_RNA) where: Base-Base interactions energy: -10.927 where: short stacking energy: -10.927 Base-Backbone interact. energy: -1.011 local terms energy: -23.912270 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -0.743 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: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -36.968879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.968879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.968879 (E_RNA) where: Base-Base interactions energy: -10.675 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.005 local terms energy: -26.289369 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -37.801624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.801624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.801624 (E_RNA) where: Base-Base interactions energy: -10.176 where: short stacking energy: -10.176 Base-Backbone interact. energy: -0.008 local terms energy: -27.618362 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -28.966858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.966858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.966858 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.081 local terms energy: -20.807206 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -1.339 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: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -34.337493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.337493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.337493 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.270 local terms energy: -23.163914 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -29.209392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.209392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.209392 (E_RNA) where: Base-Base interactions energy: -3.690 where: short stacking energy: -3.690 Base-Backbone interact. energy: -0.003 local terms energy: -25.516211 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: 0.429 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: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -32.555035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.555035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.555035 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.001 local terms energy: -24.408894 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.511 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: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -38.080623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.080623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.080623 (E_RNA) where: Base-Base interactions energy: -12.243 where: short stacking energy: -12.243 Base-Backbone interact. energy: -0.000 local terms energy: -25.837160 where: bonds (distance) C4'-P energy: -4.758 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -32.416962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.416962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.416962 (E_RNA) where: Base-Base interactions energy: -5.712 where: short stacking energy: -5.712 Base-Backbone interact. energy: -0.049 local terms energy: -26.656649 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -4.781 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: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -36.626153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.626153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.626153 (E_RNA) where: Base-Base interactions energy: -10.871 where: short stacking energy: -10.960 Base-Backbone interact. energy: -0.084 local terms energy: -25.671130 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.079 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: 2, replica: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -40.644425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.644425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.644425 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -16.439 Base-Backbone interact. energy: -0.010 local terms energy: -24.195963 where: bonds (distance) C4'-P energy: -4.232 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -4.919 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: 3, replica: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -39.837412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.837412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.837412 (E_RNA) where: Base-Base interactions energy: -15.209 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.208 local terms energy: -24.420052 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: 0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -31.984608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.984608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.984608 (E_RNA) where: Base-Base interactions energy: -5.117 where: short stacking energy: -5.117 Base-Backbone interact. energy: -0.000 local terms energy: -26.867798 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -33.621479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.621479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.621479 (E_RNA) where: Base-Base interactions energy: -5.086 where: short stacking energy: -5.227 Base-Backbone interact. energy: -0.031 local terms energy: -28.504950 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -5.832 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: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -31.617420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.617420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.617420 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.011 local terms energy: -25.418430 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -1.303 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: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -31.774079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.774079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.774079 (E_RNA) where: Base-Base interactions energy: -6.557 where: short stacking energy: -6.557 Base-Backbone interact. energy: -0.032 local terms energy: -25.184629 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -32.436465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.436465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.436465 (E_RNA) where: Base-Base interactions energy: -9.718 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.034 local terms energy: -22.684865 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -27.823613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.823613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.823613 (E_RNA) where: Base-Base interactions energy: -7.066 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.107 local terms energy: -20.650560 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -27.974543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974543 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.257 local terms energy: -20.246742 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: 1.827 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: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -39.858753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.858753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.858753 (E_RNA) where: Base-Base interactions energy: -11.462 where: short stacking energy: -11.462 Base-Backbone interact. energy: -0.132 local terms energy: -28.264422 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -2.402 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: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -34.655164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.655164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.655164 (E_RNA) where: Base-Base interactions energy: -8.411 where: short stacking energy: -8.509 Base-Backbone interact. energy: -0.001 local terms energy: -26.243106 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -35.334905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.334905 (E_RNA) where: Base-Base interactions energy: -10.467 where: short stacking energy: -10.467 Base-Backbone interact. energy: -0.000 local terms energy: -24.867780 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -1.396 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: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -34.041272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.041272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.041272 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.000 local terms energy: -24.556989 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -2.206 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: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -32.298862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.298862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.298862 (E_RNA) where: Base-Base interactions energy: -7.565 where: short stacking energy: -6.858 Base-Backbone interact. energy: 0.811 local terms energy: -25.544994 where: bonds (distance) C4'-P energy: -4.129 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.671 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -31.410585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.410585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.410585 (E_RNA) where: Base-Base interactions energy: -10.424 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.002 local terms energy: -20.985154 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: 0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -30.822803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.822803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.822803 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.015 local terms energy: -21.646947 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -31.467618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.467618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.467618 (E_RNA) where: Base-Base interactions energy: -7.879 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.046 local terms energy: -23.541815 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -29.350386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350386 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -7.965 Base-Backbone interact. energy: -0.070 local terms energy: -21.315520 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -26.645765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.645765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.645765 (E_RNA) where: Base-Base interactions energy: -2.790 where: short stacking energy: -2.790 Base-Backbone interact. energy: -0.076 local terms energy: -23.780005 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: 0.043 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: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -45.022174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.022174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.022174 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: 0.121 local terms energy: -30.181563 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -5.601 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -39.186924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.186924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.186924 (E_RNA) where: Base-Base interactions energy: -10.201 where: short stacking energy: -10.201 Base-Backbone interact. energy: -0.000 local terms energy: -28.986230 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -34.329838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.329838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.329838 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.085 local terms energy: -23.227941 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -30.905914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.905914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.905914 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.003 local terms energy: -22.111732 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -1.943 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -32.275025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275025 (E_RNA) where: Base-Base interactions energy: -8.067 where: short stacking energy: -8.067 Base-Backbone interact. energy: -0.162 local terms energy: -24.046100 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -30.232090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.232090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.232090 (E_RNA) where: Base-Base interactions energy: -2.988 where: short stacking energy: -2.988 Base-Backbone interact. energy: 0.110 local terms energy: -27.353334 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -29.338707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.338707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.338707 (E_RNA) where: Base-Base interactions energy: -3.578 where: short stacking energy: -3.578 Base-Backbone interact. energy: -0.092 local terms energy: -25.668270 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: 0.196 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: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -33.619383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619383 (E_RNA) where: Base-Base interactions energy: -11.178 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.022 local terms energy: -22.418757 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -32.153379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153379 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.000 local terms energy: -22.007788 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -4.904 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -1.689 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -28.585228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.585228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.585228 (E_RNA) where: Base-Base interactions energy: -7.009 where: short stacking energy: -7.009 Base-Backbone interact. energy: -0.087 local terms energy: -21.489471 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -1.509 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -35.964449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.964449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.964449 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.133 local terms energy: -28.009455 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -36.662755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.662755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.662755 (E_RNA) where: Base-Base interactions energy: -10.328 where: short stacking energy: -10.328 Base-Backbone interact. energy: -0.000 local terms energy: -26.334851 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -36.703822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.703822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.703822 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -11.595 Base-Backbone interact. energy: -0.033 local terms energy: -23.635867 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -2.367 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -34.828638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.828638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.828638 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.048 local terms energy: -23.945970 where: bonds (distance) C4'-P energy: -6.075 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: 0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -34.957944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.957944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.957944 (E_RNA) where: Base-Base interactions energy: -12.122 where: short stacking energy: -12.064 Base-Backbone interact. energy: -1.053 local terms energy: -21.783431 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -2.463 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: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -37.177565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.177565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.177565 (E_RNA) where: Base-Base interactions energy: -11.743 where: short stacking energy: -11.743 Base-Backbone interact. energy: -0.160 local terms energy: -25.274316 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -1.981 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: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -30.149662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.149662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.149662 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.055 local terms energy: -23.096417 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -4.814 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -33.165287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.165287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.165287 (E_RNA) where: Base-Base interactions energy: -10.268 where: short stacking energy: -9.060 Base-Backbone interact. energy: -0.013 local terms energy: -22.884069 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -6.158 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: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -30.066751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.066751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.066751 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.206 local terms energy: -17.075284 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: 1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -27.408823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.408823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.408823 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.650 Base-Backbone interact. energy: -0.042 local terms energy: -21.017191 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -0.072 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: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -40.809930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.809930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.809930 (E_RNA) where: Base-Base interactions energy: -14.015 where: short stacking energy: -14.015 Base-Backbone interact. energy: -0.001 local terms energy: -26.793135 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -42.602221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.602221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.602221 (E_RNA) where: Base-Base interactions energy: -11.026 where: short stacking energy: -11.026 Base-Backbone interact. energy: -0.000 local terms energy: -31.575959 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -38.859222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.859222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.859222 (E_RNA) where: Base-Base interactions energy: -13.239 where: short stacking energy: -13.271 Base-Backbone interact. energy: -0.003 local terms energy: -25.616509 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -1.314 tors. eta vs tors. theta energy: -4.483 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: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -38.239404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.239404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.239404 (E_RNA) where: Base-Base interactions energy: -11.312 where: short stacking energy: -11.312 Base-Backbone interact. energy: -0.000 local terms energy: -26.927552 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -34.536182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.536182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.536182 (E_RNA) where: Base-Base interactions energy: -10.987 where: short stacking energy: -10.987 Base-Backbone interact. energy: -0.057 local terms energy: -23.491466 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -32.177530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.177530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.177530 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.000 local terms energy: -23.572755 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -32.636417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.636417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.636417 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.141 Base-Backbone interact. energy: -0.024 local terms energy: -19.599985 where: bonds (distance) C4'-P energy: -2.958 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: 0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -31.401599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.401599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.401599 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.000 local terms energy: -24.677607 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -29.610826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.610826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.610826 (E_RNA) where: Base-Base interactions energy: -5.284 where: short stacking energy: -5.284 Base-Backbone interact. energy: -0.002 local terms energy: -24.324725 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -2.449 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -29.463589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.463589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.463589 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: 1.022 local terms energy: -23.628906 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -2.204 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: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -35.142364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.142364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.142364 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.000 local terms energy: -25.656472 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -2.204 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: 2, replica: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -37.218018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.218018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.218018 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.000 local terms energy: -27.478174 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -38.095520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.095520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.095520 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.001 local terms energy: -29.424479 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -7.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -37.049883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.049883 (E_RNA) where: Base-Base interactions energy: -10.464 where: short stacking energy: -10.464 Base-Backbone interact. energy: 0.006 local terms energy: -26.591768 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.603 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: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -35.131359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131359 (E_RNA) where: Base-Base interactions energy: -6.784 where: short stacking energy: -6.784 Base-Backbone interact. energy: -0.000 local terms energy: -28.347314 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -4.563 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: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -31.310812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.310812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.310812 (E_RNA) where: Base-Base interactions energy: -5.442 where: short stacking energy: -5.442 Base-Backbone interact. energy: -0.002 local terms energy: -25.866796 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -32.078084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.078084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.078084 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.001 local terms energy: -24.900137 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -3.738 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: 8, replica: 8 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -37.139867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.139867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.139867 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -11.750 Base-Backbone interact. energy: -0.001 local terms energy: -24.706339 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -27.942802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.942802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.942802 (E_RNA) where: Base-Base interactions energy: -6.038 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.096 local terms energy: -21.808609 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -5.098 tors. eta vs tors. theta energy: -0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -28.454206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.454206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.454206 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.154 local terms energy: -21.152943 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -1.848 tors. eta vs tors. theta energy: 0.737 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -42.021304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.021304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.021304 (E_RNA) where: Base-Base interactions energy: -14.515 where: short stacking energy: -14.515 Base-Backbone interact. energy: -0.016 local terms energy: -27.489631 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -4.558 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -38.344975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.344975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.344975 (E_RNA) where: Base-Base interactions energy: -10.719 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.063 local terms energy: -27.562873 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.519 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: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -45.945715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.945715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.945715 (E_RNA) where: Base-Base interactions energy: -16.713 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.713 local terms energy: -28.520288 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -5.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -33.079250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.079250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.079250 (E_RNA) where: Base-Base interactions energy: -8.583 where: short stacking energy: -8.583 Base-Backbone interact. energy: -0.016 local terms energy: -24.479664 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -2.270 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: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -38.816787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816787 (E_RNA) where: Base-Base interactions energy: -11.821 where: short stacking energy: -11.821 Base-Backbone interact. energy: -0.052 local terms energy: -26.943753 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -3.801 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: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -32.159538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.159538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.159538 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -12.649 Base-Backbone interact. energy: 0.010 local terms energy: -19.520024 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -1.392 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -29.468144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.468144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.468144 (E_RNA) where: Base-Base interactions energy: -3.742 where: short stacking energy: -3.742 Base-Backbone interact. energy: -0.017 local terms energy: -25.709423 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -32.519866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519866 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -23.665172 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: 0.383 tors. eta vs tors. theta energy: -4.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -31.544034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.544034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.544034 (E_RNA) where: Base-Base interactions energy: -6.992 where: short stacking energy: -6.992 Base-Backbone interact. energy: 0.649 local terms energy: -25.201505 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -2.815 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: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -33.200336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.200336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.200336 (E_RNA) where: Base-Base interactions energy: -9.789 where: short stacking energy: -9.789 Base-Backbone interact. energy: -0.004 local terms energy: -23.407360 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: 0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -41.712926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.712926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.712926 (E_RNA) where: Base-Base interactions energy: -12.925 where: short stacking energy: -12.925 Base-Backbone interact. energy: -0.000 local terms energy: -28.788064 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -3.693 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: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -37.553609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.553609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.553609 (E_RNA) where: Base-Base interactions energy: -11.333 where: short stacking energy: -11.163 Base-Backbone interact. energy: 0.275 local terms energy: -26.496269 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -43.276456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.276456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.276456 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.001 local terms energy: -31.464900 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -34.562637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.562637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.562637 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -6.962 Base-Backbone interact. energy: -0.000 local terms energy: -27.086713 where: bonds (distance) C4'-P energy: -6.307 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -5.074 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: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -30.726154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.726154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.726154 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.003 local terms energy: -23.463786 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -30.989114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.989114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.989114 (E_RNA) where: Base-Base interactions energy: -5.772 where: short stacking energy: -5.772 Base-Backbone interact. energy: -0.044 local terms energy: -25.172594 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -35.235905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.235905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.235905 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.021 local terms energy: -26.787084 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -1.853 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: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -31.222709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.222709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.222709 (E_RNA) where: Base-Base interactions energy: -7.103 where: short stacking energy: -4.572 Base-Backbone interact. energy: -0.003 local terms energy: -24.116356 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -1.945 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -32.398807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.398807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.398807 (E_RNA) where: Base-Base interactions energy: -8.527 where: short stacking energy: -8.527 Base-Backbone interact. energy: -0.009 local terms energy: -23.863040 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -2.935 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: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -28.812074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.812074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.812074 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -7.904 Base-Backbone interact. energy: -1.369 local terms energy: -17.384519 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: 2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -42.568298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.568298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.568298 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.661 Base-Backbone interact. energy: -0.000 local terms energy: -27.907191 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -3.824 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: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -34.694796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.694796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.694796 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.001 local terms energy: -25.398820 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.409 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: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -35.871117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.871117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.871117 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.065 local terms energy: -25.448536 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.784 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: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -33.299745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.299745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.299745 (E_RNA) where: Base-Base interactions energy: -10.494 where: short stacking energy: -10.494 Base-Backbone interact. energy: -0.003 local terms energy: -22.803010 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -2.846 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -41.705393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.705393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.705393 (E_RNA) where: Base-Base interactions energy: -11.560 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.000 local terms energy: -30.145741 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -33.366098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.366098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.366098 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.002 local terms energy: -25.814984 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -28.848379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.848379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.848379 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.101 local terms energy: -21.000626 where: bonds (distance) C4'-P energy: -4.929 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -31.445871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.445871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.445871 (E_RNA) where: Base-Base interactions energy: -6.955 where: short stacking energy: -6.955 Base-Backbone interact. energy: -0.032 local terms energy: -24.458323 where: bonds (distance) C4'-P energy: -4.299 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -28.725250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.725250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.725250 (E_RNA) where: Base-Base interactions energy: -6.683 where: short stacking energy: -6.683 Base-Backbone interact. energy: -0.075 local terms energy: -21.967746 where: bonds (distance) C4'-P energy: -4.783 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -29.011261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.011261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.011261 (E_RNA) where: Base-Base interactions energy: -4.747 where: short stacking energy: -3.963 Base-Backbone interact. energy: -0.078 local terms energy: -24.185733 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -0.151 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: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -39.758300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.758300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.758300 (E_RNA) where: Base-Base interactions energy: -10.645 where: short stacking energy: -10.645 Base-Backbone interact. energy: -0.005 local terms energy: -29.108116 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.743 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: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -35.494040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.494040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.494040 (E_RNA) where: Base-Base interactions energy: -7.734 where: short stacking energy: -7.734 Base-Backbone interact. energy: -0.089 local terms energy: -27.671707 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -41.315690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.315690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.315690 (E_RNA) where: Base-Base interactions energy: -15.362 where: short stacking energy: -15.362 Base-Backbone interact. energy: -1.033 local terms energy: -24.920006 where: bonds (distance) C4'-P energy: -2.466 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -36.217151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.217151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.217151 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.544 local terms energy: -24.675972 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -2.025 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: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -32.364970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.364970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.364970 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.521 Base-Backbone interact. energy: -0.809 local terms energy: -24.804536 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -3.322 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: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -31.871796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.871796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.871796 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.092 local terms energy: -25.466982 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -0.694 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -29.978674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.978674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.978674 (E_RNA) where: Base-Base interactions energy: -9.391 where: short stacking energy: -9.391 Base-Backbone interact. energy: -0.018 local terms energy: -20.569618 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -1.950 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -26.800486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.800486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.800486 (E_RNA) where: Base-Base interactions energy: -6.092 where: short stacking energy: -6.092 Base-Backbone interact. energy: -0.022 local terms energy: -20.686797 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: 1.506 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: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -29.209073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.209073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.209073 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -4.367 Base-Backbone interact. energy: 0.070 local terms energy: -20.962513 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -2.934 flat angles P-C4'-P energy: -3.258 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: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -34.046751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.046751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.046751 (E_RNA) where: Base-Base interactions energy: -9.603 where: short stacking energy: -9.603 Base-Backbone interact. energy: -0.008 local terms energy: -24.435719 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.170 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: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -47.425197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.425197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.425197 (E_RNA) where: Base-Base interactions energy: -15.801 where: short stacking energy: -15.801 Base-Backbone interact. energy: -0.005 local terms energy: -31.619663 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -42.484037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.484037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.484037 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.000 local terms energy: -27.891643 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.389 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -5.520 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -31.424068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.424068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.424068 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -11.506 Base-Backbone interact. energy: -0.000 local terms energy: -20.462989 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -32.325056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.325056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.325056 (E_RNA) where: Base-Base interactions energy: -7.782 where: short stacking energy: -7.782 Base-Backbone interact. energy: -0.000 local terms energy: -24.543315 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -32.132067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.132067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.132067 (E_RNA) where: Base-Base interactions energy: -7.422 where: short stacking energy: -7.422 Base-Backbone interact. energy: -0.089 local terms energy: -24.621195 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: 0.334 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: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -30.499955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.499955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.499955 (E_RNA) where: Base-Base interactions energy: -7.856 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.000 local terms energy: -22.643970 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -30.204873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.204873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.204873 (E_RNA) where: Base-Base interactions energy: -8.805 where: short stacking energy: -8.805 Base-Backbone interact. energy: -0.000 local terms energy: -21.399384 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -1.250 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -31.997229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.997229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.997229 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.019 local terms energy: -23.311904 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -1.977 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: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -27.401941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.401941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.401941 (E_RNA) where: Base-Base interactions energy: -6.812 where: short stacking energy: -6.812 Base-Backbone interact. energy: -0.011 local terms energy: -20.578952 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -32.976108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976108 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -6.233 Base-Backbone interact. energy: -0.062 local terms energy: -26.680912 where: bonds (distance) C4'-P energy: -3.293 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -43.868255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.868255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.868255 (E_RNA) where: Base-Base interactions energy: -14.040 where: short stacking energy: -14.040 Base-Backbone interact. energy: -0.000 local terms energy: -29.827826 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -40.506118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.506118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.506118 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.046 local terms energy: -28.606420 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -39.500984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.500984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.500984 (E_RNA) where: Base-Base interactions energy: -14.578 where: short stacking energy: -12.879 Base-Backbone interact. energy: -0.435 local terms energy: -24.488341 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -31.019864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.019864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.019864 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -8.489 Base-Backbone interact. energy: -0.003 local terms energy: -22.527320 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -1.121 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: 278 Temperature: 1.100000 Total energy: -31.925063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.925063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.925063 (E_RNA) where: Base-Base interactions energy: -10.222 where: short stacking energy: -10.222 Base-Backbone interact. energy: -0.086 local terms energy: -21.616968 where: bonds (distance) C4'-P energy: -6.598 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -0.157 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: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -31.730808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.730808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.730808 (E_RNA) where: Base-Base interactions energy: -8.787 where: short stacking energy: -8.787 Base-Backbone interact. energy: -0.037 local terms energy: -22.906880 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -29.724310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.724310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.724310 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.101 local terms energy: -21.342926 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -3.753 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -0.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -29.024657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.024657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.024657 (E_RNA) where: Base-Base interactions energy: -5.160 where: short stacking energy: -5.160 Base-Backbone interact. energy: -0.116 local terms energy: -23.748499 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -30.657420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.657420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.657420 (E_RNA) where: Base-Base interactions energy: -5.578 where: short stacking energy: -5.578 Base-Backbone interact. energy: -0.015 local terms energy: -25.063525 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -29.178212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.178212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.178212 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.004 local terms energy: -21.690802 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.193 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -37.066691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.066691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.066691 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.513 local terms energy: -25.150509 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -40.706715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.706715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.706715 (E_RNA) where: Base-Base interactions energy: -14.458 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.000 local terms energy: -26.249084 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -31.715271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.715271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.715271 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -1.062 local terms energy: -22.695676 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -4.007 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.275 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: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -37.433552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.433552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.433552 (E_RNA) where: Base-Base interactions energy: -17.597 where: short stacking energy: -14.638 Base-Backbone interact. energy: -0.042 local terms energy: -19.794327 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -1.493 tors. eta vs tors. theta energy: -1.174 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: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -34.575811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.575811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.575811 (E_RNA) where: Base-Base interactions energy: -9.504 where: short stacking energy: -9.504 Base-Backbone interact. energy: -0.000 local terms energy: -25.071717 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -34.445872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.445872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.445872 (E_RNA) where: Base-Base interactions energy: -12.466 where: short stacking energy: -12.466 Base-Backbone interact. energy: -0.000 local terms energy: -21.980062 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -0.654 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -4.345 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: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -29.789509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.789509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.789509 (E_RNA) where: Base-Base interactions energy: -5.735 where: short stacking energy: -5.735 Base-Backbone interact. energy: -0.002 local terms energy: -24.051819 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -31.284151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.284151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.284151 (E_RNA) where: Base-Base interactions energy: -6.531 where: short stacking energy: -6.531 Base-Backbone interact. energy: -0.002 local terms energy: -24.751215 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: 0.226 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: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -28.512656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.512656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.512656 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.041 local terms energy: -20.490029 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -0.132 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: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -26.318102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.318102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.318102 (E_RNA) where: Base-Base interactions energy: -3.132 where: short stacking energy: -3.132 Base-Backbone interact. energy: -0.073 local terms energy: -23.113659 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -0.960 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: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -45.878914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.878914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.878914 (E_RNA) where: Base-Base interactions energy: -16.892 where: short stacking energy: -16.892 Base-Backbone interact. energy: -0.000 local terms energy: -28.986664 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -34.671725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.671725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.671725 (E_RNA) where: Base-Base interactions energy: -10.848 where: short stacking energy: -10.848 Base-Backbone interact. energy: -0.093 local terms energy: -23.730469 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.655 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: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -36.555237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.555237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.555237 (E_RNA) where: Base-Base interactions energy: -9.308 where: short stacking energy: -9.308 Base-Backbone interact. energy: -0.015 local terms energy: -27.231672 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -32.614436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.614436 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.105 local terms energy: -21.251704 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -1.095 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: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -32.793405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.793405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.793405 (E_RNA) where: Base-Base interactions energy: -10.067 where: short stacking energy: -10.067 Base-Backbone interact. energy: -0.012 local terms energy: -22.714590 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -2.149 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: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -33.078645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.078645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.078645 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.001 local terms energy: -24.380726 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -0.224 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: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -31.272809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.272809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.272809 (E_RNA) where: Base-Base interactions energy: -6.765 where: short stacking energy: -6.695 Base-Backbone interact. energy: 0.416 local terms energy: -24.923316 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -30.301354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301354 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.987 Base-Backbone interact. energy: -0.000 local terms energy: -21.313940 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -28.814122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.814122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.814122 (E_RNA) where: Base-Base interactions energy: -8.972 where: short stacking energy: -8.972 Base-Backbone interact. energy: -0.150 local terms energy: -19.692535 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -3.836 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -0.511 tors. eta vs tors. theta energy: -2.160 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: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -29.616727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616727 (E_RNA) where: Base-Base interactions energy: -9.360 where: short stacking energy: -9.859 Base-Backbone interact. energy: -0.087 local terms energy: -20.169367 where: bonds (distance) C4'-P energy: -3.293 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -0.957 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: 281 Temperature: 0.900000 Total energy: -40.671200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.671200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.671200 (E_RNA) where: Base-Base interactions energy: -14.750 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.013 local terms energy: -25.907560 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -2.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -38.608128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.608128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.608128 (E_RNA) where: Base-Base interactions energy: -12.343 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.065 local terms energy: -26.200362 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -2.919 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: 3, replica: 3 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -38.903254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.903254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.903254 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.003 local terms energy: -27.911895 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -2.809 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: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -34.738456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.738456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.738456 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.039 local terms energy: -23.869354 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -1.532 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: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -38.199417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.199417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.199417 (E_RNA) where: Base-Base interactions energy: -14.801 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.002 local terms energy: -23.396888 where: bonds (distance) C4'-P energy: -2.313 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -39.852986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.852986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.852986 (E_RNA) where: Base-Base interactions energy: -11.019 where: short stacking energy: -11.019 Base-Backbone interact. energy: -0.003 local terms energy: -28.830371 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -35.021520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.021520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.021520 (E_RNA) where: Base-Base interactions energy: -8.821 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.000 local terms energy: -26.200762 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -27.878308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.878308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.878308 (E_RNA) where: Base-Base interactions energy: -7.210 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.070 local terms energy: -20.598414 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.537 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: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -29.275388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.275388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.275388 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.077 local terms energy: -21.451631 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: 0.822 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: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -33.387794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387794 (E_RNA) where: Base-Base interactions energy: -8.741 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.095 local terms energy: -24.551649 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: 0.106 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: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -35.355367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355367 (E_RNA) where: Base-Base interactions energy: -9.574 where: short stacking energy: -9.574 Base-Backbone interact. energy: -0.098 local terms energy: -25.683317 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -3.473 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -36.200953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200953 (E_RNA) where: Base-Base interactions energy: -11.014 where: short stacking energy: -11.014 Base-Backbone interact. energy: -0.000 local terms energy: -25.186522 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -36.901678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.901678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.901678 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.011 local terms energy: -26.661030 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.389 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: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -36.894878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.894878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.894878 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.011 local terms energy: -26.088322 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.348 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: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -37.500565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.500565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.500565 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -9.876 Base-Backbone interact. energy: -0.000 local terms energy: -26.915980 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.627 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -33.095082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.095082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.095082 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.019 local terms energy: -19.626771 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -3.856 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -34.158577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158577 (E_RNA) where: Base-Base interactions energy: -9.290 where: short stacking energy: -9.290 Base-Backbone interact. energy: -0.000 local terms energy: -24.868273 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -2.021 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: 282 Temperature: 1.250000 Total energy: -34.363256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.363256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.363256 (E_RNA) where: Base-Base interactions energy: -7.636 where: short stacking energy: -7.636 Base-Backbone interact. energy: -0.030 local terms energy: -26.696823 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -0.987 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: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -27.321323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.321323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.321323 (E_RNA) where: Base-Base interactions energy: -3.012 where: short stacking energy: -3.012 Base-Backbone interact. energy: -0.003 local terms energy: -24.306527 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -0.485 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: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -29.122812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.122812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.122812 (E_RNA) where: Base-Base interactions energy: -6.951 where: short stacking energy: -5.854 Base-Backbone interact. energy: -0.122 local terms energy: -22.049968 where: bonds (distance) C4'-P energy: -5.263 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -38.769076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769076 (E_RNA) where: Base-Base interactions energy: -9.714 where: short stacking energy: -9.714 Base-Backbone interact. energy: -0.395 local terms energy: -28.660183 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -5.902 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: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -35.217704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.217704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.217704 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -9.811 Base-Backbone interact. energy: -0.000 local terms energy: -25.406477 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -34.703514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.703514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.703514 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -12.937 Base-Backbone interact. energy: 0.522 local terms energy: -22.288522 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -0.031 tors. eta vs tors. theta energy: -1.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -34.102481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.102481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.102481 (E_RNA) where: Base-Base interactions energy: -8.891 where: short stacking energy: -8.915 Base-Backbone interact. energy: -0.045 local terms energy: -25.166942 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -37.626967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.626967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.626967 (E_RNA) where: Base-Base interactions energy: -10.851 where: short stacking energy: -10.851 Base-Backbone interact. energy: -0.000 local terms energy: -26.775837 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -3.333 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: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -36.084877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.084877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.084877 (E_RNA) where: Base-Base interactions energy: -8.136 where: short stacking energy: -8.136 Base-Backbone interact. energy: -0.000 local terms energy: -27.948716 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -27.259465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259465 (E_RNA) where: Base-Base interactions energy: -6.794 where: short stacking energy: -6.794 Base-Backbone interact. energy: 0.179 local terms energy: -20.644383 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: 1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -28.873086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.873086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.873086 (E_RNA) where: Base-Base interactions energy: -4.586 where: short stacking energy: -4.586 Base-Backbone interact. energy: -0.096 local terms energy: -24.191356 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: 0.115 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: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -30.596172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.596172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.596172 (E_RNA) where: Base-Base interactions energy: -7.119 where: short stacking energy: -7.119 Base-Backbone interact. energy: -0.001 local terms energy: -23.475353 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.559 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -27.317603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.317603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.317603 (E_RNA) where: Base-Base interactions energy: -3.423 where: short stacking energy: -3.423 Base-Backbone interact. energy: -0.036 local terms energy: -23.858680 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -39.134767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.134767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.134767 (E_RNA) where: Base-Base interactions energy: -12.242 where: short stacking energy: -12.242 Base-Backbone interact. energy: -0.002 local terms energy: -26.890735 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -1.402 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: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -37.892163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.892163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.892163 (E_RNA) where: Base-Base interactions energy: -12.433 where: short stacking energy: -12.433 Base-Backbone interact. energy: -0.094 local terms energy: -25.364375 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -1.702 tors. eta vs tors. theta energy: -3.633 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: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -32.360591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.360591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.360591 (E_RNA) where: Base-Base interactions energy: -9.212 where: short stacking energy: -9.212 Base-Backbone interact. energy: -0.002 local terms energy: -23.146477 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -5.109 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.390 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -33.215576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.215576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.215576 (E_RNA) where: Base-Base interactions energy: -11.008 where: short stacking energy: -11.008 Base-Backbone interact. energy: -0.000 local terms energy: -22.207316 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -1.003 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -30.872070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.872070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.872070 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.006 local terms energy: -22.220274 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -1.344 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: 284 Temperature: 1.150000 Total energy: -32.499305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.499305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.499305 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.048 local terms energy: -24.017858 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -34.524673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524673 (E_RNA) where: Base-Base interactions energy: -11.869 where: short stacking energy: -11.869 Base-Backbone interact. energy: 0.245 local terms energy: -22.900407 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -31.478395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.478395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.478395 (E_RNA) where: Base-Base interactions energy: -5.280 where: short stacking energy: -5.280 Base-Backbone interact. energy: -0.038 local terms energy: -26.160583 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -35.915584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.915584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.915584 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: -0.040 local terms energy: -26.850893 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -28.118529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.118529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.118529 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.022 local terms energy: -21.185492 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: 1.604 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: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -33.924503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.924503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.924503 (E_RNA) where: Base-Base interactions energy: -7.544 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.034 local terms energy: -26.346587 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -42.859495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.859495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.859495 (E_RNA) where: Base-Base interactions energy: -15.381 where: short stacking energy: -15.381 Base-Backbone interact. energy: -0.000 local terms energy: -27.478161 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -33.533407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.533407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.533407 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.196 local terms energy: -24.965502 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -35.915774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.915774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.915774 (E_RNA) where: Base-Base interactions energy: -9.740 where: short stacking energy: -9.740 Base-Backbone interact. energy: -0.000 local terms energy: -26.176142 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -3.645 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -35.639511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639511 (E_RNA) where: Base-Base interactions energy: -8.735 where: short stacking energy: -8.735 Base-Backbone interact. energy: -0.016 local terms energy: -26.888072 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: 0.100 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -32.701768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701768 (E_RNA) where: Base-Base interactions energy: -7.356 where: short stacking energy: -7.771 Base-Backbone interact. energy: -0.049 local terms energy: -25.296597 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -28.054997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.054997 (E_RNA) where: Base-Base interactions energy: -3.343 where: short stacking energy: -3.343 Base-Backbone interact. energy: -0.005 local terms energy: -24.706964 where: bonds (distance) C4'-P energy: -4.137 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -31.607320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.607320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.607320 (E_RNA) where: Base-Base interactions energy: -4.994 where: short stacking energy: -4.994 Base-Backbone interact. energy: -0.017 local terms energy: -26.597155 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -3.376 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: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -41.271468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.271468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.271468 (E_RNA) where: Base-Base interactions energy: -14.409 where: short stacking energy: -14.409 Base-Backbone interact. energy: -0.001 local terms energy: -26.862011 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -5.628 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: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -30.746432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.746432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.746432 (E_RNA) where: Base-Base interactions energy: -5.307 where: short stacking energy: -5.307 Base-Backbone interact. energy: -0.000 local terms energy: -25.439237 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.753 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: 286 Temperature: 0.900000 Total energy: -37.484850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.484850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.484850 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.170 local terms energy: -26.153785 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -3.845 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -37.856952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856952 (E_RNA) where: Base-Base interactions energy: -10.307 where: short stacking energy: -10.307 Base-Backbone interact. energy: -0.000 local terms energy: -27.549903 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -31.391432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.391432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.391432 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.655528 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: 0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -34.700654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700654 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.031 local terms energy: -26.174983 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -30.918600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918600 (E_RNA) where: Base-Base interactions energy: -8.400 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.128 local terms energy: -22.390139 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: 1.852 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: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -30.666623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.666623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.666623 (E_RNA) where: Base-Base interactions energy: -4.059 where: short stacking energy: -4.059 Base-Backbone interact. energy: -0.000 local terms energy: -26.607054 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -36.640717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.640717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.640717 (E_RNA) where: Base-Base interactions energy: -9.258 where: short stacking energy: -9.258 Base-Backbone interact. energy: -0.001 local terms energy: -27.381075 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -4.737 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -32.852248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.852248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.852248 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.001 local terms energy: -24.239556 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -1.204 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: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -29.927108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.927108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.927108 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.006 local terms energy: -22.311774 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -29.749211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.749211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.749211 (E_RNA) where: Base-Base interactions energy: -8.275 where: short stacking energy: -8.275 Base-Backbone interact. energy: 0.908 local terms energy: -22.382337 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -40.812413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.812413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.812413 (E_RNA) where: Base-Base interactions energy: -13.188 where: short stacking energy: -13.188 Base-Backbone interact. energy: -0.083 local terms energy: -27.541641 where: bonds (distance) C4'-P energy: -2.999 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -4.561 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: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -44.664564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.664564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.664564 (E_RNA) where: Base-Base interactions energy: -15.245 where: short stacking energy: -15.245 Base-Backbone interact. energy: -0.000 local terms energy: -29.418935 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -4.294 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: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -37.635481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.635481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.635481 (E_RNA) where: Base-Base interactions energy: -12.595 where: short stacking energy: -12.595 Base-Backbone interact. energy: -0.001 local terms energy: -25.039721 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -36.106629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.106629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.106629 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: 0.064 local terms energy: -24.373582 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -31.565668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.565668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.565668 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: 0.355 local terms energy: -24.213524 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -31.813841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.813841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.813841 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.099 local terms energy: -20.919697 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.508 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: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -37.228955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.228955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.228955 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.052 local terms energy: -27.178500 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -31.645109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.645109 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.166 Base-Backbone interact. energy: -0.047 local terms energy: -23.232849 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -28.573157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.573157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.573157 (E_RNA) where: Base-Base interactions energy: -6.035 where: short stacking energy: -6.035 Base-Backbone interact. energy: -0.016 local terms energy: -22.521733 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.933 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: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -28.503057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.503057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.503057 (E_RNA) where: Base-Base interactions energy: -4.917 where: short stacking energy: -3.986 Base-Backbone interact. energy: -0.018 local terms energy: -23.567933 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -3.788 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -1.772 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: 10 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -38.886496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.886496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.886496 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.150 local terms energy: -26.343007 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -33.389385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.389385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.389385 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.143 local terms energy: -26.443193 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -35.930085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.930085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.930085 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.007 local terms energy: -29.008763 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -33.225893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.225893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.225893 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -8.662 Base-Backbone interact. energy: 0.951 local terms energy: -24.480722 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -37.468285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.468285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.468285 (E_RNA) where: Base-Base interactions energy: -13.604 where: short stacking energy: -13.604 Base-Backbone interact. energy: 0.098 local terms energy: -23.962318 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.656 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -33.069946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.069946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.069946 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.021 local terms energy: -23.180414 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -34.798570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.798570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.798570 (E_RNA) where: Base-Base interactions energy: -8.596 where: short stacking energy: -8.596 Base-Backbone interact. energy: -0.003 local terms energy: -26.199714 where: bonds (distance) C4'-P energy: -4.261 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -31.535881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.535881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.535881 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.004 local terms energy: -24.127474 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -29.349739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.349739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.349739 (E_RNA) where: Base-Base interactions energy: -7.915 where: short stacking energy: -7.915 Base-Backbone interact. energy: -0.001 local terms energy: -21.433766 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -31.987711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987711 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.000 local terms energy: -26.479028 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.115 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: 289 Temperature: 0.900000 Total energy: -43.882078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.882078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.882078 (E_RNA) where: Base-Base interactions energy: -15.488 where: short stacking energy: -13.654 Base-Backbone interact. energy: -0.000 local terms energy: -28.394125 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -33.929125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.929125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.929125 (E_RNA) where: Base-Base interactions energy: -7.300 where: short stacking energy: -7.300 Base-Backbone interact. energy: -0.103 local terms energy: -26.526481 where: bonds (distance) C4'-P energy: -5.765 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -1.385 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: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -33.386041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.386041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.386041 (E_RNA) where: Base-Base interactions energy: -7.157 where: short stacking energy: -7.157 Base-Backbone interact. energy: -0.218 local terms energy: -26.010999 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -31.040786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.040786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.040786 (E_RNA) where: Base-Base interactions energy: -8.872 where: short stacking energy: -8.872 Base-Backbone interact. energy: -0.006 local terms energy: -22.162791 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -1.334 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: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -30.048095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.048095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.048095 (E_RNA) where: Base-Base interactions energy: -8.035 where: short stacking energy: -8.035 Base-Backbone interact. energy: -0.267 local terms energy: -21.745827 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -28.393572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.393572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.393572 (E_RNA) where: Base-Base interactions energy: -3.974 where: short stacking energy: -3.974 Base-Backbone interact. energy: -0.100 local terms energy: -24.319811 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -32.001799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.001799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.001799 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.103 local terms energy: -24.806391 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -27.857011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.857011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.857011 (E_RNA) where: Base-Base interactions energy: -5.133 where: short stacking energy: -5.133 Base-Backbone interact. energy: -0.000 local terms energy: -22.723726 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -1.517 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -30.778006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.778006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.778006 (E_RNA) where: Base-Base interactions energy: -3.380 where: short stacking energy: -2.407 Base-Backbone interact. energy: -1.656 local terms energy: -25.741782 where: bonds (distance) C4'-P energy: -3.878 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -29.509762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.509762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.509762 (E_RNA) where: Base-Base interactions energy: -7.739 where: short stacking energy: -7.058 Base-Backbone interact. energy: 0.373 local terms energy: -22.143845 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -37.022152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.022152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.022152 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.011 local terms energy: -26.054855 where: bonds (distance) C4'-P energy: -4.883 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -33.163251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.163251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.163251 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.001 local terms energy: -25.099642 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -33.692304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.692304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.692304 (E_RNA) where: Base-Base interactions energy: -10.186 where: short stacking energy: -10.186 Base-Backbone interact. energy: -0.031 local terms energy: -23.475795 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: 1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -35.207507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.207507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.207507 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.177 local terms energy: -22.060796 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: 0.320 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -30.366908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.366908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.366908 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.102 local terms energy: -21.234276 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: 0.969 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: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -33.066310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.066310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.066310 (E_RNA) where: Base-Base interactions energy: -10.570 where: short stacking energy: -10.570 Base-Backbone interact. energy: -0.000 local terms energy: -22.496151 where: bonds (distance) C4'-P energy: -2.557 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -3.302 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: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -32.791312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.791312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.791312 (E_RNA) where: Base-Base interactions energy: -2.798 where: short stacking energy: -2.798 Base-Backbone interact. energy: -0.097 local terms energy: -29.896888 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -28.526652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.526652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.526652 (E_RNA) where: Base-Base interactions energy: -9.878 where: short stacking energy: -9.878 Base-Backbone interact. energy: 1.859 local terms energy: -20.507348 where: bonds (distance) C4'-P energy: -2.341 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -0.833 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: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -29.625182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.625182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.625182 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -5.529 Base-Backbone interact. energy: -0.073 local terms energy: -22.720885 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -30.879987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.879987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.879987 (E_RNA) where: Base-Base interactions energy: -7.986 where: short stacking energy: -7.986 Base-Backbone interact. energy: -0.000 local terms energy: -22.893327 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -33.847478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.847478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.847478 (E_RNA) where: Base-Base interactions energy: -9.244 where: short stacking energy: -9.244 Base-Backbone interact. energy: -0.084 local terms energy: -24.518890 where: bonds (distance) C4'-P energy: -4.597 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -37.180221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.180221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.180221 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.086 local terms energy: -26.475632 where: bonds (distance) C4'-P energy: -3.969 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -5.360 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: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -34.602443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.602443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.602443 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.001 local terms energy: -22.298345 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -0.157 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -41.016634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.016634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.016634 (E_RNA) where: Base-Base interactions energy: -13.141 where: short stacking energy: -13.141 Base-Backbone interact. energy: -0.000 local terms energy: -27.875592 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -32.912161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.912161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.912161 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.088 local terms energy: -24.633057 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -31.233588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.233588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.233588 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.036 local terms energy: -22.262131 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -3.655 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -30.950387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.950387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.950387 (E_RNA) where: Base-Base interactions energy: -3.730 where: short stacking energy: -3.730 Base-Backbone interact. energy: -0.149 local terms energy: -27.071083 where: bonds (distance) C4'-P energy: -4.502 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -3.098 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: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -29.231652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.231652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.231652 (E_RNA) where: Base-Base interactions energy: -3.655 where: short stacking energy: -3.655 Base-Backbone interact. energy: -0.001 local terms energy: -25.575855 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -1.282 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -29.782727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.782727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.782727 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.001 local terms energy: -22.609857 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -29.359549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.359549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.359549 (E_RNA) where: Base-Base interactions energy: -2.264 where: short stacking energy: -2.264 Base-Backbone interact. energy: 0.979 local terms energy: -28.074445 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -1.965 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: 292 Temperature: 0.900000 Total energy: -42.581030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.581030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.581030 (E_RNA) where: Base-Base interactions energy: -14.974 where: short stacking energy: -14.974 Base-Backbone interact. energy: -0.001 local terms energy: -27.605880 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -1.369 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: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -39.820107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.820107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.820107 (E_RNA) where: Base-Base interactions energy: -13.054 where: short stacking energy: -11.077 Base-Backbone interact. energy: -0.062 local terms energy: -26.704404 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -37.694767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.694767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.694767 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.383 Base-Backbone interact. energy: -0.077 local terms energy: -25.235087 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -3.350 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: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -38.072920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072920 (E_RNA) where: Base-Base interactions energy: -11.973 where: short stacking energy: -10.739 Base-Backbone interact. energy: -0.102 local terms energy: -25.998202 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -36.609552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.609552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.609552 (E_RNA) where: Base-Base interactions energy: -10.755 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.004 local terms energy: -25.851010 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -37.100572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.100572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.100572 (E_RNA) where: Base-Base interactions energy: -7.218 where: short stacking energy: -7.101 Base-Backbone interact. energy: -0.055 local terms energy: -29.827381 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -31.387854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387854 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.036 local terms energy: -24.061698 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -26.996956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996956 (E_RNA) where: Base-Base interactions energy: -4.685 where: short stacking energy: -4.803 Base-Backbone interact. energy: -0.074 local terms energy: -22.237940 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -0.421 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: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -26.133994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.133994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.133994 (E_RNA) where: Base-Base interactions energy: -8.030 where: short stacking energy: -4.109 Base-Backbone interact. energy: 1.317 local terms energy: -19.421429 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: 3.894 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: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -31.581248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.581248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.581248 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.041 local terms energy: -22.817848 where: bonds (distance) C4'-P energy: -4.659 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -35.513622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.513622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.513622 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.136 local terms energy: -23.794239 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -0.979 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: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -35.330508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.330508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.330508 (E_RNA) where: Base-Base interactions energy: -9.242 where: short stacking energy: -9.242 Base-Backbone interact. energy: -0.129 local terms energy: -25.959490 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -37.260406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.260406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.260406 (E_RNA) where: Base-Base interactions energy: -11.761 where: short stacking energy: -11.761 Base-Backbone interact. energy: -0.528 local terms energy: -24.971290 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -3.730 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: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -34.276356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.276356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.276356 (E_RNA) where: Base-Base interactions energy: -12.796 where: short stacking energy: -12.796 Base-Backbone interact. energy: -0.049 local terms energy: -21.432011 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -0.997 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: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -33.859989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.859989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.859989 (E_RNA) where: Base-Base interactions energy: -11.970 where: short stacking energy: -11.970 Base-Backbone interact. energy: -0.004 local terms energy: -21.885969 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -3.219 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -35.282112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.282112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.282112 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.000 local terms energy: -26.005278 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -5.053 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: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -31.308013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.308013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.308013 (E_RNA) where: Base-Base interactions energy: -7.340 where: short stacking energy: -7.340 Base-Backbone interact. energy: -0.001 local terms energy: -23.966705 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -1.517 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: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -36.985448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985448 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.184 local terms energy: -24.843313 where: bonds (distance) C4'-P energy: -3.542 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -26.648829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.648829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.648829 (E_RNA) where: Base-Base interactions energy: -5.166 where: short stacking energy: -5.266 Base-Backbone interact. energy: -0.153 local terms energy: -21.329468 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -4.100 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -32.913543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.913543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.913543 (E_RNA) where: Base-Base interactions energy: -10.965 where: short stacking energy: -11.437 Base-Backbone interact. energy: -0.054 local terms energy: -21.894646 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -0.783 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: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -40.461689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.461689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.461689 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.198 local terms energy: -25.163435 where: bonds (distance) C4'-P energy: -4.437 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.047 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: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -37.396222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.396222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.396222 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.000 local terms energy: -25.548124 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -44.085430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.085430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.085430 (E_RNA) where: Base-Base interactions energy: -15.761 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.000 local terms energy: -28.324341 where: bonds (distance) C4'-P energy: -4.953 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -32.651340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.651340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.651340 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.202 local terms energy: -25.756993 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -32.293063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.293063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.293063 (E_RNA) where: Base-Base interactions energy: -10.643 where: short stacking energy: -10.643 Base-Backbone interact. energy: -0.001 local terms energy: -21.649349 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -32.333442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.333442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.333442 (E_RNA) where: Base-Base interactions energy: -6.646 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.005 local terms energy: -25.682957 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -31.839746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.839746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.839746 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -6.044 Base-Backbone interact. energy: -0.825 local terms energy: -23.299798 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -1.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -33.019851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.019851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.019851 (E_RNA) where: Base-Base interactions energy: -7.992 where: short stacking energy: -7.992 Base-Backbone interact. energy: -0.004 local terms energy: -25.024150 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -30.764875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764875 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -5.214 Base-Backbone interact. energy: -0.004 local terms energy: -24.319037 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -1.728 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: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -28.244951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.244951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.244951 (E_RNA) where: Base-Base interactions energy: -7.163 where: short stacking energy: -7.163 Base-Backbone interact. energy: -0.108 local terms energy: -20.974110 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: 1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -39.825520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.825520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.825520 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.004 local terms energy: -24.602172 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -38.873463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.873463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.873463 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -10.854 Base-Backbone interact. energy: -0.020 local terms energy: -24.439693 where: bonds (distance) C4'-P energy: -5.496 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -34.413662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.413662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.413662 (E_RNA) where: Base-Base interactions energy: -8.015 where: short stacking energy: -7.210 Base-Backbone interact. energy: -0.004 local terms energy: -26.394660 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -4.070 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: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -31.034247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.034247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.034247 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -7.170 Base-Backbone interact. energy: 0.044 local terms energy: -23.908331 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: 1.004 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -39.408472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.408472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.408472 (E_RNA) where: Base-Base interactions energy: -13.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.034 local terms energy: -26.371486 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -30.531220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.531220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.531220 (E_RNA) where: Base-Base interactions energy: -4.407 where: short stacking energy: -2.465 Base-Backbone interact. energy: -0.088 local terms energy: -26.036068 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -0.762 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: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -34.247182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.247182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.247182 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.874 Base-Backbone interact. energy: -0.002 local terms energy: -27.371046 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -3.321 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: 8, replica: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -29.752938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.752938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.752938 (E_RNA) where: Base-Base interactions energy: -3.160 where: short stacking energy: -3.160 Base-Backbone interact. energy: -0.001 local terms energy: -26.592108 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -28.121539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.121539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.121539 (E_RNA) where: Base-Base interactions energy: -6.855 where: short stacking energy: -6.855 Base-Backbone interact. energy: -0.142 local terms energy: -21.124237 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: 0.807 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: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -29.736349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.736349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.736349 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -8.775 Base-Backbone interact. energy: -0.025 local terms energy: -20.935999 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -3.435 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: 296 Temperature: 0.900000 Total energy: -40.370183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.370183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.370183 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -11.798 Base-Backbone interact. energy: -0.009 local terms energy: -28.562857 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -3.089 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: 2, replica: 4 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -39.605388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.605388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.605388 (E_RNA) where: Base-Base interactions energy: -10.636 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.000 local terms energy: -28.968843 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -38.773335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.773335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.773335 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -10.156 Base-Backbone interact. energy: -0.011 local terms energy: -26.946779 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -35.900172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.900172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.900172 (E_RNA) where: Base-Base interactions energy: -10.903 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.015 local terms energy: -24.981489 where: bonds (distance) C4'-P energy: -4.249 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -31.864814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.864814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.864814 (E_RNA) where: Base-Base interactions energy: -7.904 where: short stacking energy: -7.904 Base-Backbone interact. energy: -0.001 local terms energy: -23.960005 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -30.511494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.511494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.511494 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.049 local terms energy: -22.571665 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -1.923 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: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -30.267712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.267712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.267712 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.877 local terms energy: -19.616074 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -35.449585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.449585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.449585 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.095 local terms energy: -28.243628 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -28.929027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.929027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.929027 (E_RNA) where: Base-Base interactions energy: -5.016 where: short stacking energy: -3.308 Base-Backbone interact. energy: -0.007 local terms energy: -23.905735 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -0.633 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: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -26.805368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.805368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.805368 (E_RNA) where: Base-Base interactions energy: -4.853 where: short stacking energy: -4.853 Base-Backbone interact. energy: -0.013 local terms energy: -21.939254 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -43.356845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.356845 (E_RNA) where: Base-Base interactions energy: -11.533 where: short stacking energy: -12.282 Base-Backbone interact. energy: -0.000 local terms energy: -31.823356 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -33.291869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.291869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.291869 (E_RNA) where: Base-Base interactions energy: -8.351 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.071 local terms energy: -24.870019 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -0.722 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: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -40.223451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.223451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.223451 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.834 Base-Backbone interact. energy: -0.087 local terms energy: -25.302517 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -33.801433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.801433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.801433 (E_RNA) where: Base-Base interactions energy: -5.679 where: short stacking energy: -5.679 Base-Backbone interact. energy: -0.000 local terms energy: -28.122456 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -1.007 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: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -37.095070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.095070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.095070 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.765 local terms energy: -24.851227 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -1.560 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: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -31.501923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.501923 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.003 local terms energy: -24.587987 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -37.575492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.575492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.575492 (E_RNA) where: Base-Base interactions energy: -13.885 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.023 local terms energy: -23.667564 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -2.851 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -31.428623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.428623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.428623 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.854 Base-Backbone interact. energy: -0.004 local terms energy: -22.570229 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -4.955 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -31.610788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.610788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.610788 (E_RNA) where: Base-Base interactions energy: -5.723 where: short stacking energy: -5.723 Base-Backbone interact. energy: -0.046 local terms energy: -25.842053 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -31.595124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.595124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.595124 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.156 local terms energy: -24.358784 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -0.733 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: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -41.461027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.461027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.461027 (E_RNA) where: Base-Base interactions energy: -14.190 where: short stacking energy: -14.190 Base-Backbone interact. energy: -0.008 local terms energy: -27.262778 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -3.354 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: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -35.884008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.884008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.884008 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.551 local terms energy: -28.340222 where: bonds (distance) C4'-P energy: -5.620 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -3.167 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: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -36.276618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.276618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.276618 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.009 local terms energy: -24.193613 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.710 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -43.485978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.485978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.485978 (E_RNA) where: Base-Base interactions energy: -15.859 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.000 local terms energy: -27.626473 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -3.997 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: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -36.400739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.400739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.400739 (E_RNA) where: Base-Base interactions energy: -12.428 where: short stacking energy: -12.428 Base-Backbone interact. energy: -0.051 local terms energy: -23.921724 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -32.441824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.441824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.441824 (E_RNA) where: Base-Base interactions energy: -10.095 where: short stacking energy: -10.095 Base-Backbone interact. energy: 1.291 local terms energy: -23.638420 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -1.595 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -29.780356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.780356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.780356 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.000 local terms energy: -22.123092 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -32.588341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588341 (E_RNA) where: Base-Base interactions energy: -4.863 where: short stacking energy: -4.863 Base-Backbone interact. energy: -0.004 local terms energy: -27.721353 where: bonds (distance) C4'-P energy: -7.226 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -4.728 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: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -25.977856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.977856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.977856 (E_RNA) where: Base-Base interactions energy: -3.190 where: short stacking energy: -1.920 Base-Backbone interact. energy: 0.059 local terms energy: -22.846829 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.408 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -29.783067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.783067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.783067 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.161 local terms energy: -21.802159 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -0.061 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: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -42.563811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.563811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.563811 (E_RNA) where: Base-Base interactions energy: -14.738 where: short stacking energy: -14.738 Base-Backbone interact. energy: -0.000 local terms energy: -27.825694 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -6.826 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -36.317643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.317643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.317643 (E_RNA) where: Base-Base interactions energy: -9.737 where: short stacking energy: -9.737 Base-Backbone interact. energy: -0.033 local terms energy: -26.547627 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -40.557505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.557505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.557505 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -13.254 Base-Backbone interact. energy: 0.069 local terms energy: -27.372055 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -34.934684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.934684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.934684 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.305 local terms energy: -23.826905 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -35.644819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.644819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.644819 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.025 local terms energy: -22.867034 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -0.487 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: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -33.906729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.906729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.906729 (E_RNA) where: Base-Base interactions energy: -9.836 where: short stacking energy: -9.836 Base-Backbone interact. energy: -0.000 local terms energy: -24.070305 where: bonds (distance) C4'-P energy: -6.104 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -32.131891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.131891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.131891 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.100 local terms energy: -22.787174 where: bonds (distance) C4'-P energy: -4.253 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -30.574477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.574477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.574477 (E_RNA) where: Base-Base interactions energy: -9.733 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.050 local terms energy: -20.792369 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -2.845 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -33.328577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.328577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.328577 (E_RNA) where: Base-Base interactions energy: -12.317 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.189 local terms energy: -20.822453 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: 0.348 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: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -27.046062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.046062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.046062 (E_RNA) where: Base-Base interactions energy: -4.062 where: short stacking energy: -4.062 Base-Backbone interact. energy: -0.012 local terms energy: -22.972116 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -0.583 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: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -40.771039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.771039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.771039 (E_RNA) where: Base-Base interactions energy: -12.000 where: short stacking energy: -12.000 Base-Backbone interact. energy: -0.002 local terms energy: -28.768665 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -39.352939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.352939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.352939 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.007 local terms energy: -28.333665 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -38.332908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.332908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.332908 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.003 local terms energy: -26.787056 where: bonds (distance) C4'-P energy: -5.264 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.556 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -36.251497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.251497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.251497 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.004 local terms energy: -25.533656 where: bonds (distance) C4'-P energy: -5.438 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -4.164 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: 5, replica: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -39.590494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.590494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.590494 (E_RNA) where: Base-Base interactions energy: -12.400 where: short stacking energy: -10.888 Base-Backbone interact. energy: -0.001 local terms energy: -27.189378 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -30.064730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064730 (E_RNA) where: Base-Base interactions energy: -5.755 where: short stacking energy: -6.155 Base-Backbone interact. energy: -0.001 local terms energy: -24.308456 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -35.629437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.629437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.629437 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: 0.502 local terms energy: -26.420896 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -30.249891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.249891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.249891 (E_RNA) where: Base-Base interactions energy: -6.632 where: short stacking energy: -5.125 Base-Backbone interact. energy: -0.158 local terms energy: -23.460551 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -1.907 tors. eta vs tors. theta energy: -1.891 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: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -34.161034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.161034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.161034 (E_RNA) where: Base-Base interactions energy: -12.653 where: short stacking energy: -12.653 Base-Backbone interact. energy: -0.036 local terms energy: -21.472282 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.093 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.632 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: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -27.792084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.792084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.792084 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.002 local terms energy: -20.488977 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: 0.151 tors. eta vs tors. theta energy: -3.262 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: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -36.833191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.833191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.833191 (E_RNA) where: Base-Base interactions energy: -8.572 where: short stacking energy: -8.572 Base-Backbone interact. energy: -0.843 local terms energy: -27.418109 where: bonds (distance) C4'-P energy: -3.712 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -34.882008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.882008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.882008 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.002 local terms energy: -25.368979 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -39.220205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220205 (E_RNA) where: Base-Base interactions energy: -15.398 where: short stacking energy: -15.398 Base-Backbone interact. energy: -0.003 local terms energy: -23.819454 where: bonds (distance) C4'-P energy: -4.542 bonds (distance) P-C4' energy: -5.483 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -3.813 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: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -35.570977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570977 (E_RNA) where: Base-Base interactions energy: -12.964 where: short stacking energy: -12.964 Base-Backbone interact. energy: -0.000 local terms energy: -22.606950 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -1.314 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -29.278878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.278878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.278878 (E_RNA) where: Base-Base interactions energy: -5.264 where: short stacking energy: -5.264 Base-Backbone interact. energy: -0.097 local terms energy: -23.917247 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -32.587052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.587052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.587052 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.057 Base-Backbone interact. energy: -0.872 local terms energy: -23.793111 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -0.638 tors. eta vs tors. theta energy: -4.603 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: 301 Temperature: 1.200000 Total energy: -33.319131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319131 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.001 local terms energy: -25.651968 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -1.957 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: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -29.543262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.543262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.543262 (E_RNA) where: Base-Base interactions energy: -6.929 where: short stacking energy: -6.929 Base-Backbone interact. energy: -0.000 local terms energy: -22.614347 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -1.228 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -28.599336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.599336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.599336 (E_RNA) where: Base-Base interactions energy: -4.074 where: short stacking energy: -4.074 Base-Backbone interact. energy: -0.003 local terms energy: -24.522804 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -28.904104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904104 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.095 local terms energy: -20.492566 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -35.545590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.545590 (E_RNA) where: Base-Base interactions energy: -12.055 where: short stacking energy: -12.055 Base-Backbone interact. energy: -0.009 local terms energy: -23.481339 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: 0.579 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: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -38.793397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.793397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.793397 (E_RNA) where: Base-Base interactions energy: -11.337 where: short stacking energy: -11.337 Base-Backbone interact. energy: -0.073 local terms energy: -27.382931 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -41.581955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.581955 (E_RNA) where: Base-Base interactions energy: -14.718 where: short stacking energy: -14.718 Base-Backbone interact. energy: -0.000 local terms energy: -26.864167 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -32.973652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.973652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.973652 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.101 local terms energy: -25.199595 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -33.658311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.658311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.658311 (E_RNA) where: Base-Base interactions energy: -11.387 where: short stacking energy: -11.287 Base-Backbone interact. energy: 0.048 local terms energy: -22.318910 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -1.025 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: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -37.842051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.842051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.842051 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: 0.241 local terms energy: -27.591079 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -2.760 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: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -28.162369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.162369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.162369 (E_RNA) where: Base-Base interactions energy: -6.857 where: short stacking energy: -6.857 Base-Backbone interact. energy: -0.016 local terms energy: -21.288876 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.579 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -31.710781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.710781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.710781 (E_RNA) where: Base-Base interactions energy: -10.628 where: short stacking energy: -10.628 Base-Backbone interact. energy: -0.521 local terms energy: -20.561674 where: bonds (distance) C4'-P energy: -1.787 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -1.994 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: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -31.347047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347047 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.000 local terms energy: -23.476332 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -30.090035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090035 (E_RNA) where: Base-Base interactions energy: -5.730 where: short stacking energy: -5.730 Base-Backbone interact. energy: -0.001 local terms energy: -24.359703 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -0.873 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: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -38.935791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.935791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.935791 (E_RNA) where: Base-Base interactions energy: -13.261 where: short stacking energy: -13.261 Base-Backbone interact. energy: -0.035 local terms energy: -25.639686 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -41.727720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.727720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.727720 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.013 local terms energy: -28.145657 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -28.555304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.555304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.555304 (E_RNA) where: Base-Base interactions energy: -4.969 where: short stacking energy: -3.075 Base-Backbone interact. energy: -0.244 local terms energy: -23.342102 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: 1.607 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: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -36.433446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.433446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.433446 (E_RNA) where: Base-Base interactions energy: -8.854 where: short stacking energy: -8.810 Base-Backbone interact. energy: -0.060 local terms energy: -27.519286 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -35.137717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.137717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.137717 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.001 local terms energy: -24.181176 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -1.118 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -32.769430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769430 (E_RNA) where: Base-Base interactions energy: -5.185 where: short stacking energy: -5.185 Base-Backbone interact. energy: -0.001 local terms energy: -27.583662 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -30.919697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919697 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.001 local terms energy: -20.294675 where: bonds (distance) C4'-P energy: -2.511 bonds (distance) P-C4' energy: -4.851 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -31.125749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.125749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.125749 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.077 local terms energy: -20.544531 where: bonds (distance) C4'-P energy: -2.618 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -1.530 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -31.233870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.233870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.233870 (E_RNA) where: Base-Base interactions energy: -4.350 where: short stacking energy: -4.350 Base-Backbone interact. energy: -0.000 local terms energy: -26.883262 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -33.160803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.160803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.160803 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.096 local terms energy: -25.658060 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -1.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -36.781940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.781940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.781940 (E_RNA) where: Base-Base interactions energy: -9.344 where: short stacking energy: -9.344 Base-Backbone interact. energy: -0.000 local terms energy: -27.437247 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -35.443558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443558 (E_RNA) where: Base-Base interactions energy: -8.204 where: short stacking energy: -8.204 Base-Backbone interact. energy: -0.132 local terms energy: -27.107435 where: bonds (distance) C4'-P energy: -4.907 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -4.374 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -29.861214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.861214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.861214 (E_RNA) where: Base-Base interactions energy: -4.436 where: short stacking energy: -4.436 Base-Backbone interact. energy: -0.071 local terms energy: -25.353967 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -33.798762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.798762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.798762 (E_RNA) where: Base-Base interactions energy: -9.087 where: short stacking energy: -8.546 Base-Backbone interact. energy: -0.012 local terms energy: -24.699875 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.750 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -37.264852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.264852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.264852 (E_RNA) where: Base-Base interactions energy: -11.154 where: short stacking energy: -11.154 Base-Backbone interact. energy: -0.000 local terms energy: -26.110870 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -31.794035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.794035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.794035 (E_RNA) where: Base-Base interactions energy: -9.207 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.045 local terms energy: -22.542385 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -31.355680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.355680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.355680 (E_RNA) where: Base-Base interactions energy: -8.521 where: short stacking energy: -8.521 Base-Backbone interact. energy: -0.009 local terms energy: -22.825406 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -30.029012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.029012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.029012 (E_RNA) where: Base-Base interactions energy: -5.644 where: short stacking energy: -5.644 Base-Backbone interact. energy: -0.000 local terms energy: -24.384517 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -1.847 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: 5 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -30.230936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230936 (E_RNA) where: Base-Base interactions energy: -5.850 where: short stacking energy: -5.850 Base-Backbone interact. energy: -0.039 local terms energy: -24.341760 where: bonds (distance) C4'-P energy: -6.924 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -24.045420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.045420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.045420 (E_RNA) where: Base-Base interactions energy: -2.997 where: short stacking energy: -2.997 Base-Backbone interact. energy: -0.039 local terms energy: -21.009235 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -45.293230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.293230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.293230 (E_RNA) where: Base-Base interactions energy: -15.533 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.110 local terms energy: -29.650599 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -32.003596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.003596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.003596 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -8.482 Base-Backbone interact. energy: -0.115 local terms energy: -23.406881 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -34.151056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.151056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.151056 (E_RNA) where: Base-Base interactions energy: -11.598 where: short stacking energy: -11.598 Base-Backbone interact. energy: -0.111 local terms energy: -22.441367 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -36.204730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.204730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.204730 (E_RNA) where: Base-Base interactions energy: -12.690 where: short stacking energy: -12.690 Base-Backbone interact. energy: -0.004 local terms energy: -23.510591 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: 0.327 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -32.131788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.131788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.131788 (E_RNA) where: Base-Base interactions energy: -10.717 where: short stacking energy: -10.717 Base-Backbone interact. energy: -0.000 local terms energy: -21.414465 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -33.260119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260119 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.023 local terms energy: -25.793050 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -31.939760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.939760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.939760 (E_RNA) where: Base-Base interactions energy: -9.203 where: short stacking energy: -7.456 Base-Backbone interact. energy: -0.118 local terms energy: -22.618624 where: bonds (distance) C4'-P energy: -4.738 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -32.999294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.999294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.999294 (E_RNA) where: Base-Base interactions energy: -9.814 where: short stacking energy: -9.814 Base-Backbone interact. energy: -0.014 local terms energy: -23.171810 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -4.396 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -27.578822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.578822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.578822 (E_RNA) where: Base-Base interactions energy: -4.118 where: short stacking energy: -4.118 Base-Backbone interact. energy: -0.000 local terms energy: -23.460670 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -27.017973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.017973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.017973 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.768 local terms energy: -19.116679 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -34.949622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.949622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.949622 (E_RNA) where: Base-Base interactions energy: -5.354 where: short stacking energy: -5.354 Base-Backbone interact. energy: -0.053 local terms energy: -29.542247 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -43.760881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.760881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.760881 (E_RNA) where: Base-Base interactions energy: -12.698 where: short stacking energy: -12.698 Base-Backbone interact. energy: -0.000 local terms energy: -31.062457 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -30.749345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749345 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.086 local terms energy: -22.622697 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: 0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -32.314580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.314580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.314580 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.111 local terms energy: -25.644965 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -34.718935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.718935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.718935 (E_RNA) where: Base-Base interactions energy: -11.133 where: short stacking energy: -11.133 Base-Backbone interact. energy: -0.001 local terms energy: -23.584539 where: bonds (distance) C4'-P energy: -4.547 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -32.595480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.595480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.595480 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: -5.726 Base-Backbone interact. energy: -0.010 local terms energy: -26.859260 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -2.095 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: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -33.451188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.451188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.451188 (E_RNA) where: Base-Base interactions energy: -7.512 where: short stacking energy: -7.512 Base-Backbone interact. energy: -0.000 local terms energy: -25.939007 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -2.820 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: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -29.033922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.033922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.033922 (E_RNA) where: Base-Base interactions energy: -5.118 where: short stacking energy: -5.118 Base-Backbone interact. energy: -0.045 local terms energy: -23.870982 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -2.894 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: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -29.244021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.244021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.244021 (E_RNA) where: Base-Base interactions energy: -6.074 where: short stacking energy: -6.074 Base-Backbone interact. energy: -0.044 local terms energy: -23.125840 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -0.286 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: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -31.921922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.921922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.921922 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.008 local terms energy: -21.300156 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: 0.651 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: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -36.702486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.702486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.702486 (E_RNA) where: Base-Base interactions energy: -11.060 where: short stacking energy: -11.060 Base-Backbone interact. energy: -0.043 local terms energy: -25.599930 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -35.442338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.442338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.442338 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: -0.176 local terms energy: -24.669034 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.454 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -2.257 tors. eta vs tors. theta energy: -2.692 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: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -37.567688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.567688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.567688 (E_RNA) where: Base-Base interactions energy: -11.521 where: short stacking energy: -11.521 Base-Backbone interact. energy: -0.000 local terms energy: -26.046199 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -35.929405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.929405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.929405 (E_RNA) where: Base-Base interactions energy: -9.818 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.611 local terms energy: -25.499537 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -32.382672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.382672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.382672 (E_RNA) where: Base-Base interactions energy: -6.896 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.008 local terms energy: -25.478600 where: bonds (distance) C4'-P energy: -4.990 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -2.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -30.152298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.152298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.152298 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: -4.221 Base-Backbone interact. energy: -0.017 local terms energy: -25.914031 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -29.763911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.763911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.763911 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.435 local terms energy: -20.167214 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -31.917960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.917960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.917960 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.009 local terms energy: -23.318524 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -3.966 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: 307 Temperature: 1.300000 Total energy: -29.047175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.047175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.047175 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.051 local terms energy: -21.657440 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -28.284540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.284540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.284540 (E_RNA) where: Base-Base interactions energy: -6.981 where: short stacking energy: -6.981 Base-Backbone interact. energy: -0.033 local terms energy: -21.270082 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -35.032159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.032159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.032159 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.006 local terms energy: -25.882614 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -2.781 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: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -34.507607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.507607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.507607 (E_RNA) where: Base-Base interactions energy: -11.838 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.081 local terms energy: -22.587899 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -3.798 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: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -37.294394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.294394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.294394 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.000 local terms energy: -23.026234 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -0.596 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: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -31.613753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613753 (E_RNA) where: Base-Base interactions energy: -9.816 where: short stacking energy: -9.816 Base-Backbone interact. energy: -0.104 local terms energy: -21.694346 where: bonds (distance) C4'-P energy: -3.633 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -39.061830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061830 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.001 local terms energy: -24.094254 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -2.987 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: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -35.583486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.583486 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.001 local terms energy: -24.917063 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -34.774690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.774690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.774690 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.003 local terms energy: -22.910033 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -30.325248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.325248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.325248 (E_RNA) where: Base-Base interactions energy: -9.182 where: short stacking energy: -9.182 Base-Backbone interact. energy: -0.001 local terms energy: -21.142434 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -28.537109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.537109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.537109 (E_RNA) where: Base-Base interactions energy: -2.798 where: short stacking energy: -2.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.739467 where: bonds (distance) C4'-P energy: -5.433 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.390 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -28.696206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.696206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.696206 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: -6.387 Base-Backbone interact. energy: -0.089 local terms energy: -22.602749 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: 0.119 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: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -47.422407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.422407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.422407 (E_RNA) where: Base-Base interactions energy: -13.712 where: short stacking energy: -13.712 Base-Backbone interact. energy: -0.000 local terms energy: -33.710351 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -39.731174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731174 (E_RNA) where: Base-Base interactions energy: -13.103 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.098 local terms energy: -26.530149 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -34.619567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.619567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.619567 (E_RNA) where: Base-Base interactions energy: -9.508 where: short stacking energy: -9.508 Base-Backbone interact. energy: -0.018 local terms energy: -25.093090 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.035 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -40.570326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.570326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.570326 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.000 local terms energy: -30.087932 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -36.465364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.465364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.465364 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.000 local terms energy: -28.320442 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.968 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -3.587 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: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -30.275312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.275312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.275312 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.097 local terms energy: -23.455630 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -34.143989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.143989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.143989 (E_RNA) where: Base-Base interactions energy: -10.082 where: short stacking energy: -10.082 Base-Backbone interact. energy: -0.001 local terms energy: -24.061050 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -33.275237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.275237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.275237 (E_RNA) where: Base-Base interactions energy: -8.803 where: short stacking energy: -8.803 Base-Backbone interact. energy: -0.079 local terms energy: -24.393933 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -33.341286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.341286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.341286 (E_RNA) where: Base-Base interactions energy: -12.274 where: short stacking energy: -12.274 Base-Backbone interact. energy: -0.011 local terms energy: -21.056202 where: bonds (distance) C4'-P energy: -1.503 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -29.547740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.547740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.547740 (E_RNA) where: Base-Base interactions energy: -5.033 where: short stacking energy: -5.033 Base-Backbone interact. energy: -0.038 local terms energy: -24.476665 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -39.134662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.134662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.134662 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.000 local terms energy: -27.522925 where: bonds (distance) C4'-P energy: -6.696 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -36.165833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.165833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.165833 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.017 local terms energy: -28.215873 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -38.162676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.162676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.162676 (E_RNA) where: Base-Base interactions energy: -11.775 where: short stacking energy: -11.775 Base-Backbone interact. energy: -0.104 local terms energy: -26.283592 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -36.084471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.084471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.084471 (E_RNA) where: Base-Base interactions energy: -15.382 where: short stacking energy: -15.382 Base-Backbone interact. energy: -0.031 local terms energy: -20.671065 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -1.485 tors. eta vs tors. theta energy: -3.322 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: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -37.048683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.048683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.048683 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.003 local terms energy: -24.435390 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -2.672 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: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -32.715931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.715931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.715931 (E_RNA) where: Base-Base interactions energy: -10.824 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.011 local terms energy: -21.881135 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: 0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -31.566711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.566711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.566711 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.050 local terms energy: -24.275196 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -27.439250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.439250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.439250 (E_RNA) where: Base-Base interactions energy: -7.150 where: short stacking energy: -7.150 Base-Backbone interact. energy: -0.186 local terms energy: -20.103139 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: 1.256 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: 310 Temperature: 1.300000 Total energy: -29.081068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.081068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.081068 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.090 local terms energy: -21.748929 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: 0.190 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -26.824300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.824300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.824300 (E_RNA) where: Base-Base interactions energy: -6.728 where: short stacking energy: -6.728 Base-Backbone interact. energy: -0.004 local terms energy: -20.092670 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: 1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -37.344498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.344498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.344498 (E_RNA) where: Base-Base interactions energy: -9.433 where: short stacking energy: -9.433 Base-Backbone interact. energy: -0.000 local terms energy: -27.911098 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -35.689614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.689614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.689614 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.332 local terms energy: -24.111496 where: bonds (distance) C4'-P energy: -5.951 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -39.609238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.609238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.609238 (E_RNA) where: Base-Base interactions energy: -14.002 where: short stacking energy: -14.002 Base-Backbone interact. energy: -0.005 local terms energy: -25.602227 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: -4.893 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: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -37.037156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.037156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.037156 (E_RNA) where: Base-Base interactions energy: -12.606 where: short stacking energy: -12.606 Base-Backbone interact. energy: -0.007 local terms energy: -24.423939 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -31.258277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.258277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.258277 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.206 local terms energy: -22.271637 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -32.066219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.066219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.066219 (E_RNA) where: Base-Base interactions energy: -10.076 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.111 local terms energy: -21.879572 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -31.347428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.347428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.347428 (E_RNA) where: Base-Base interactions energy: -6.626 where: short stacking energy: -6.626 Base-Backbone interact. energy: 0.024 local terms energy: -24.745785 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -28.084132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.084132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.084132 (E_RNA) where: Base-Base interactions energy: -3.905 where: short stacking energy: -3.905 Base-Backbone interact. energy: -0.100 local terms energy: -24.079379 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -30.997677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.997677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.997677 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.000 local terms energy: -18.294021 where: bonds (distance) C4'-P energy: -0.773 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -1.393 tors. eta vs tors. theta energy: -3.665 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: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -26.123313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.123313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.123313 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.926 Base-Backbone interact. energy: -0.000 local terms energy: -21.197285 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -0.741 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -36.547038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.547038 (E_RNA) where: Base-Base interactions energy: -9.420 where: short stacking energy: -9.420 Base-Backbone interact. energy: -0.000 local terms energy: -27.126735 where: bonds (distance) C4'-P energy: -5.008 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -33.000179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000179 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -7.905 Base-Backbone interact. energy: -0.167 local terms energy: -24.928144 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: 0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -35.639230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.639230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.639230 (E_RNA) where: Base-Base interactions energy: -8.196 where: short stacking energy: -8.196 Base-Backbone interact. energy: -0.012 local terms energy: -27.430983 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -36.134433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.134433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.134433 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.000 local terms energy: -26.600066 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -5.382 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -39.421108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.421108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.421108 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: -0.001 local terms energy: -29.214232 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -4.307 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: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -32.874225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.874225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.874225 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -7.248 Base-Backbone interact. energy: -0.008 local terms energy: -24.667291 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -5.089 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: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -34.062368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062368 (E_RNA) where: Base-Base interactions energy: -8.973 where: short stacking energy: -8.973 Base-Backbone interact. energy: -0.014 local terms energy: -25.075639 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -31.108630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.108630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.108630 (E_RNA) where: Base-Base interactions energy: -6.175 where: short stacking energy: -6.175 Base-Backbone interact. energy: -0.001 local terms energy: -24.931856 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -27.920836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.920836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.920836 (E_RNA) where: Base-Base interactions energy: -4.561 where: short stacking energy: -4.561 Base-Backbone interact. energy: -0.082 local terms energy: -23.277506 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.269 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: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -29.639040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.639040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.639040 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.180 local terms energy: -19.687512 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -35.741388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.741388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.741388 (E_RNA) where: Base-Base interactions energy: -11.525 where: short stacking energy: -11.525 Base-Backbone interact. energy: -0.001 local terms energy: -24.215722 where: bonds (distance) C4'-P energy: -4.556 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -38.818562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.818562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.818562 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.097 local terms energy: -26.350988 where: bonds (distance) C4'-P energy: -4.668 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -33.923600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.923600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.923600 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.096 local terms energy: -23.508036 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -36.397919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.397919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.397919 (E_RNA) where: Base-Base interactions energy: -9.721 where: short stacking energy: -9.721 Base-Backbone interact. energy: -0.003 local terms energy: -26.673994 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -31.619887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.619887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.619887 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.035 local terms energy: -23.948519 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: 1.002 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: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -32.695227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.695227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.695227 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.017 local terms energy: -26.110498 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -29.446640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.446640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.446640 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.002 local terms energy: -22.241639 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -35.873363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.873363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.873363 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.000 local terms energy: -26.022193 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -2.824 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -6.734 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: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -32.725140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.725140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.725140 (E_RNA) where: Base-Base interactions energy: -9.343 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.001 local terms energy: -23.380448 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -6.098 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.995 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: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -30.918967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.918967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.918967 (E_RNA) where: Base-Base interactions energy: -7.766 where: short stacking energy: -7.766 Base-Backbone interact. energy: -0.154 local terms energy: -22.998595 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: 1.387 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: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -39.782690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.782690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.782690 (E_RNA) where: Base-Base interactions energy: -10.078 where: short stacking energy: -10.078 Base-Backbone interact. energy: -0.000 local terms energy: -29.704778 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -39.790014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.790014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.790014 (E_RNA) where: Base-Base interactions energy: -14.389 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.000 local terms energy: -25.401212 where: bonds (distance) C4'-P energy: -6.373 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -38.171430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.171430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.171430 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.387 local terms energy: -27.169854 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -36.492690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.492690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.492690 (E_RNA) where: Base-Base interactions energy: -9.134 where: short stacking energy: -9.134 Base-Backbone interact. energy: -0.000 local terms energy: -27.358348 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -36.443674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.443674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.443674 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.443 local terms energy: -24.597994 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -32.518836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.518836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.518836 (E_RNA) where: Base-Base interactions energy: -9.383 where: short stacking energy: -9.383 Base-Backbone interact. energy: -0.125 local terms energy: -23.010280 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: 0.282 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: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -27.568043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.568043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.568043 (E_RNA) where: Base-Base interactions energy: -3.339 where: short stacking energy: -3.339 Base-Backbone interact. energy: -1.295 local terms energy: -22.933955 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -28.833556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.833556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.833556 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: -0.004 local terms energy: -21.877119 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: 1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -28.151064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151064 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.012 local terms energy: -19.819504 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: 1.103 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: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -28.693730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.693730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.693730 (E_RNA) where: Base-Base interactions energy: -7.132 where: short stacking energy: -7.132 Base-Backbone interact. energy: -0.029 local terms energy: -21.533069 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -0.515 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: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -42.403171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.403171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.403171 (E_RNA) where: Base-Base interactions energy: -15.427 where: short stacking energy: -15.427 Base-Backbone interact. energy: -0.091 local terms energy: -26.884437 where: bonds (distance) C4'-P energy: -4.155 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -36.406271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406271 (E_RNA) where: Base-Base interactions energy: -10.145 where: short stacking energy: -10.145 Base-Backbone interact. energy: -0.002 local terms energy: -26.258953 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -2.551 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: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -37.779812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.779812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.779812 (E_RNA) where: Base-Base interactions energy: -11.810 where: short stacking energy: -11.810 Base-Backbone interact. energy: -0.015 local terms energy: -25.954434 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -35.044973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.044973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.044973 (E_RNA) where: Base-Base interactions energy: -9.784 where: short stacking energy: -9.784 Base-Backbone interact. energy: -0.001 local terms energy: -25.259997 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -36.708551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708551 (E_RNA) where: Base-Base interactions energy: -8.808 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.051 local terms energy: -27.849659 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -5.122 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: 315 Temperature: 1.150000 Total energy: -33.873771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.873771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.873771 (E_RNA) where: Base-Base interactions energy: -10.862 where: short stacking energy: -10.862 Base-Backbone interact. energy: -0.001 local terms energy: -23.010277 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -5.714 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: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -31.572211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.572211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.572211 (E_RNA) where: Base-Base interactions energy: -6.279 where: short stacking energy: -6.279 Base-Backbone interact. energy: -0.000 local terms energy: -25.293111 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: 0.219 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -32.923755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.923755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.923755 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.002 local terms energy: -22.496439 where: bonds (distance) C4'-P energy: -3.401 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -30.996934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.996934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.996934 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.001 local terms energy: -23.945414 where: bonds (distance) C4'-P energy: -4.361 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -1.024 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -27.597590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.597590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.597590 (E_RNA) where: Base-Base interactions energy: -5.386 where: short stacking energy: -5.386 Base-Backbone interact. energy: -0.188 local terms energy: -22.023381 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -42.742289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.742289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.742289 (E_RNA) where: Base-Base interactions energy: -15.642 where: short stacking energy: -15.642 Base-Backbone interact. energy: -0.041 local terms energy: -27.059002 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -40.137964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.137964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.137964 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.000 local terms energy: -29.818400 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -34.899477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.899477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.899477 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.448 local terms energy: -24.058481 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -2.470 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: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -38.559297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.559297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.559297 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.001 local terms energy: -26.487549 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -36.623007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.623007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.623007 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.001 local terms energy: -27.570217 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -3.489 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: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -37.874826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.874826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.874826 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.001 local terms energy: -23.385344 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -3.261 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: 7, replica: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -33.189787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.189787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.189787 (E_RNA) where: Base-Base interactions energy: -6.896 where: short stacking energy: -6.896 Base-Backbone interact. energy: -0.039 local terms energy: -26.254393 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -30.603788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.603788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.603788 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: 0.035 local terms energy: -22.631011 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.086 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.787 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: 316 Temperature: 1.300000 Total energy: -30.982927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.982927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.982927 (E_RNA) where: Base-Base interactions energy: -6.594 where: short stacking energy: -4.177 Base-Backbone interact. energy: -0.163 local terms energy: -24.226323 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -29.317807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.317807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.317807 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.701 Base-Backbone interact. energy: -0.078 local terms energy: -21.585041 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -2.104 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -37.891085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.891085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.891085 (E_RNA) where: Base-Base interactions energy: -13.474 where: short stacking energy: -7.705 Base-Backbone interact. energy: -0.018 local terms energy: -24.399510 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -2.439 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: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -41.078558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.078558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.078558 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.062 local terms energy: -29.493638 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -37.771946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.771946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.771946 (E_RNA) where: Base-Base interactions energy: -10.789 where: short stacking energy: -10.789 Base-Backbone interact. energy: -0.000 local terms energy: -26.983186 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -30.430575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.430575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.430575 (E_RNA) where: Base-Base interactions energy: -6.413 where: short stacking energy: -6.413 Base-Backbone interact. energy: -0.066 local terms energy: -23.951215 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: 0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -30.796625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.796625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.796625 (E_RNA) where: Base-Base interactions energy: -2.789 where: short stacking energy: -2.789 Base-Backbone interact. energy: -0.001 local terms energy: -28.006642 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -29.675942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.675942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.675942 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.518 local terms energy: -21.780557 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: 0.987 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: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -33.223358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.223358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.223358 (E_RNA) where: Base-Base interactions energy: -6.144 where: short stacking energy: -6.144 Base-Backbone interact. energy: -0.053 local terms energy: -27.026118 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -32.018102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.018102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.018102 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.007 local terms energy: -23.239501 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -35.158628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.158628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.158628 (E_RNA) where: Base-Base interactions energy: -6.831 where: short stacking energy: -6.831 Base-Backbone interact. energy: -0.000 local terms energy: -28.328010 where: bonds (distance) C4'-P energy: -2.735 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -5.899 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -29.138711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.138711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.138711 (E_RNA) where: Base-Base interactions energy: -9.296 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.003 local terms energy: -19.839629 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -39.418610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.418610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.418610 (E_RNA) where: Base-Base interactions energy: -12.132 where: short stacking energy: -12.132 Base-Backbone interact. energy: -0.000 local terms energy: -27.286770 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -39.427559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.427559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.427559 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.057 local terms energy: -27.718481 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -1.910 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: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -37.802232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.802232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.802232 (E_RNA) where: Base-Base interactions energy: -14.433 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.000 local terms energy: -23.369198 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -39.512876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.512876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.512876 (E_RNA) where: Base-Base interactions energy: -11.716 where: short stacking energy: -11.716 Base-Backbone interact. energy: -0.000 local terms energy: -27.797360 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -36.162948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.162948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.162948 (E_RNA) where: Base-Base interactions energy: -10.099 where: short stacking energy: -10.099 Base-Backbone interact. energy: -0.000 local terms energy: -26.064164 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -4.599 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: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -31.503469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.503469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.503469 (E_RNA) where: Base-Base interactions energy: -6.000 where: short stacking energy: -6.000 Base-Backbone interact. energy: -0.067 local terms energy: -25.436050 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -37.167845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.167845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.167845 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.011 local terms energy: -23.654053 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -28.168717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.168717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.168717 (E_RNA) where: Base-Base interactions energy: -4.655 where: short stacking energy: -4.655 Base-Backbone interact. energy: -0.153 local terms energy: -23.360534 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -30.487672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487672 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -5.559 Base-Backbone interact. energy: -0.009 local terms energy: -23.070343 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -26.175754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.175754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.175754 (E_RNA) where: Base-Base interactions energy: -6.223 where: short stacking energy: -6.223 Base-Backbone interact. energy: -0.073 local terms energy: -19.879832 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -4.450 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: 0.204 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: 1, replica: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -45.501543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.501543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.501543 (E_RNA) where: Base-Base interactions energy: -13.926 where: short stacking energy: -13.926 Base-Backbone interact. energy: -0.000 local terms energy: -31.575380 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -7.090 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: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -39.703456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.703456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.703456 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.000 local terms energy: -28.051225 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -36.436969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.436969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.436969 (E_RNA) where: Base-Base interactions energy: -10.028 where: short stacking energy: -10.028 Base-Backbone interact. energy: -0.030 local terms energy: -26.379173 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -2.771 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: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -37.029888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.029888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.029888 (E_RNA) where: Base-Base interactions energy: -10.299 where: short stacking energy: -10.263 Base-Backbone interact. energy: -0.031 local terms energy: -26.700331 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -5.713 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -33.652955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.652955 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.135 local terms energy: -22.780363 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -35.144742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.144742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.144742 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: -0.907 local terms energy: -25.129253 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.244 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: 7, replica: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -32.894905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.894905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.894905 (E_RNA) where: Base-Base interactions energy: -7.928 where: short stacking energy: -7.928 Base-Backbone interact. energy: -0.000 local terms energy: -24.967144 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -30.646056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.646056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.646056 (E_RNA) where: Base-Base interactions energy: -6.229 where: short stacking energy: -6.229 Base-Backbone interact. energy: -0.130 local terms energy: -24.287054 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: 1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -31.786022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.786022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.786022 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.153 local terms energy: -20.114322 where: bonds (distance) C4'-P energy: -4.792 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -0.486 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -30.097725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.097725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.097725 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.633 Base-Backbone interact. energy: -0.031 local terms energy: -23.218462 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -42.995524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.995524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.995524 (E_RNA) where: Base-Base interactions energy: -11.590 where: short stacking energy: -11.590 Base-Backbone interact. energy: -0.047 local terms energy: -31.358342 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -36.821918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.821918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.821918 (E_RNA) where: Base-Base interactions energy: -9.526 where: short stacking energy: -9.526 Base-Backbone interact. energy: -0.001 local terms energy: -27.295727 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -35.093638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.093638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.093638 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.001 local terms energy: -26.715875 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -33.195421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.195421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.195421 (E_RNA) where: Base-Base interactions energy: -11.150 where: short stacking energy: -11.150 Base-Backbone interact. energy: -0.009 local terms energy: -22.035556 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -1.961 tors. eta vs tors. theta energy: -1.691 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: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -33.317860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.317860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.317860 (E_RNA) where: Base-Base interactions energy: -13.454 where: short stacking energy: -10.371 Base-Backbone interact. energy: -0.409 local terms energy: -19.455164 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: 1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -35.592067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592067 (E_RNA) where: Base-Base interactions energy: -9.959 where: short stacking energy: -9.959 Base-Backbone interact. energy: -0.942 local terms energy: -24.690957 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -33.834439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834439 (E_RNA) where: Base-Base interactions energy: -7.879 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.529 local terms energy: -25.426150 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -1.234 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: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -27.882330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.882330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.882330 (E_RNA) where: Base-Base interactions energy: -5.533 where: short stacking energy: -5.533 Base-Backbone interact. energy: -0.056 local terms energy: -22.293961 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -29.654170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.654170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.654170 (E_RNA) where: Base-Base interactions energy: -6.976 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.106 local terms energy: -22.572631 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: 0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -28.040972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.040972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.040972 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.087 local terms energy: -21.603863 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -40.446791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.446791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.446791 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.085 local terms energy: -25.595577 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -35.014486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.014486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.014486 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.132 local terms energy: -22.515324 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: 0.957 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: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -37.230636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.230636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.230636 (E_RNA) where: Base-Base interactions energy: -9.830 where: short stacking energy: -9.830 Base-Backbone interact. energy: -0.040 local terms energy: -27.360574 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -34.143234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.143234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.143234 (E_RNA) where: Base-Base interactions energy: -12.631 where: short stacking energy: -10.638 Base-Backbone interact. energy: -0.183 local terms energy: -21.329302 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -3.701 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -2.266 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -35.233798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.233798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.233798 (E_RNA) where: Base-Base interactions energy: -7.882 where: short stacking energy: -7.882 Base-Backbone interact. energy: -0.260 local terms energy: -27.091892 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -31.376137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.376137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.376137 (E_RNA) where: Base-Base interactions energy: -5.994 where: short stacking energy: -6.194 Base-Backbone interact. energy: -0.923 local terms energy: -24.458469 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -2.951 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: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -31.146671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.146671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.146671 (E_RNA) where: Base-Base interactions energy: -6.580 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.094 local terms energy: -24.472721 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -0.840 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: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -30.140757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.140757 (E_RNA) where: Base-Base interactions energy: -7.554 where: short stacking energy: -7.554 Base-Backbone interact. energy: -0.002 local terms energy: -22.584613 where: bonds (distance) C4'-P energy: -4.250 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -31.468085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.468085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.468085 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.036 local terms energy: -20.082777 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -25.733289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.733289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.733289 (E_RNA) where: Base-Base interactions energy: -4.626 where: short stacking energy: -4.626 Base-Backbone interact. energy: -0.211 local terms energy: -20.896670 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: 0.429 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: 322 Temperature: 0.900000 Total energy: -33.533226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.533226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.533226 (E_RNA) where: Base-Base interactions energy: -10.466 where: short stacking energy: -10.466 Base-Backbone interact. energy: -0.111 local terms energy: -22.956500 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -36.807419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.807419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.807419 (E_RNA) where: Base-Base interactions energy: -12.275 where: short stacking energy: -12.275 Base-Backbone interact. energy: -0.002 local terms energy: -24.530456 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -36.599680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.599680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.599680 (E_RNA) where: Base-Base interactions energy: -11.849 where: short stacking energy: -11.849 Base-Backbone interact. energy: -0.000 local terms energy: -24.750053 where: bonds (distance) C4'-P energy: -5.186 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -2.814 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: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -32.675213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.675213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.675213 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.001 local terms energy: -26.305604 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -2.094 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: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -31.835645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.835645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.835645 (E_RNA) where: Base-Base interactions energy: -4.824 where: short stacking energy: -4.824 Base-Backbone interact. energy: -0.008 local terms energy: -27.004482 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -39.954855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.954855 (E_RNA) where: Base-Base interactions energy: -13.026 where: short stacking energy: -13.026 Base-Backbone interact. energy: -0.000 local terms energy: -26.928530 where: bonds (distance) C4'-P energy: -3.313 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -30.780594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.780594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.780594 (E_RNA) where: Base-Base interactions energy: -5.041 where: short stacking energy: -5.041 Base-Backbone interact. energy: -0.000 local terms energy: -25.739641 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -31.425989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.425989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.425989 (E_RNA) where: Base-Base interactions energy: -7.658 where: short stacking energy: -7.658 Base-Backbone interact. energy: -0.001 local terms energy: -23.766677 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -28.475329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.475329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.475329 (E_RNA) where: Base-Base interactions energy: -7.377 where: short stacking energy: -7.377 Base-Backbone interact. energy: -0.000 local terms energy: -21.098087 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -26.549055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.549055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.549055 (E_RNA) where: Base-Base interactions energy: -11.596 where: short stacking energy: -11.596 Base-Backbone interact. energy: 0.431 local terms energy: -15.384565 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -5.319 flat angles C4'-P-C4' energy: -1.280 flat angles P-C4'-P energy: -1.409 tors. eta vs tors. theta energy: -2.547 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: 323 Temperature: 0.900000 Total energy: -35.816733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.816733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.816733 (E_RNA) where: Base-Base interactions energy: -10.349 where: short stacking energy: -10.349 Base-Backbone interact. energy: -0.002 local terms energy: -25.465126 where: bonds (distance) C4'-P energy: -6.027 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.578 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: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -41.531207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.531207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.531207 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.017 local terms energy: -27.422834 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -38.326753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326753 (E_RNA) where: Base-Base interactions energy: -10.638 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.000 local terms energy: -27.688270 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -35.778299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.778299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.778299 (E_RNA) where: Base-Base interactions energy: -8.637 where: short stacking energy: -8.637 Base-Backbone interact. energy: -0.001 local terms energy: -27.140914 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -2.606 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: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -31.681310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.681310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.681310 (E_RNA) where: Base-Base interactions energy: -5.843 where: short stacking energy: -5.843 Base-Backbone interact. energy: -0.112 local terms energy: -25.725750 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: 0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -30.207647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.207647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.207647 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: -4.740 Base-Backbone interact. energy: -0.013 local terms energy: -25.455198 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: 0.918 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: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -30.640219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.640219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.640219 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.004 local terms energy: -22.400167 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -32.212094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.212094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.212094 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.330 local terms energy: -23.749154 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -5.782 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: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -28.950414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950414 (E_RNA) where: Base-Base interactions energy: -7.495 where: short stacking energy: -7.495 Base-Backbone interact. energy: 0.035 local terms energy: -21.491098 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: 1.017 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: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -27.481454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.481454 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.205 local terms energy: -17.228064 where: bonds (distance) C4'-P energy: -4.170 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: 1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -38.795733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.795733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.795733 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -13.632 Base-Backbone interact. energy: -0.020 local terms energy: -25.144204 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -36.567632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.567632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.567632 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.081 local terms energy: -25.452575 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -32.806933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.806933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.806933 (E_RNA) where: Base-Base interactions energy: -8.969 where: short stacking energy: -8.969 Base-Backbone interact. energy: -0.013 local terms energy: -23.825885 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -39.154425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.154425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.154425 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: -0.000 local terms energy: -25.647789 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -5.414 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: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -33.553872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.553872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.553872 (E_RNA) where: Base-Base interactions energy: -11.252 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.031 local terms energy: -22.270795 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: 1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -30.857788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.857788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.857788 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.004 local terms energy: -20.593187 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -4.456 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -28.818890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.818890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.818890 (E_RNA) where: Base-Base interactions energy: -4.948 where: short stacking energy: -4.948 Base-Backbone interact. energy: -0.001 local terms energy: -23.870421 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: 0.068 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: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -30.920267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.920267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.920267 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -7.925 Base-Backbone interact. energy: -0.000 local terms energy: -22.995381 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -0.809 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -27.539413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.539413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.539413 (E_RNA) where: Base-Base interactions energy: -7.014 where: short stacking energy: -7.014 Base-Backbone interact. energy: -0.115 local terms energy: -20.410679 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -3.264 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -29.726891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.726891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.726891 (E_RNA) where: Base-Base interactions energy: -6.046 where: short stacking energy: -6.046 Base-Backbone interact. energy: -0.232 local terms energy: -23.449459 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -5.709 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -32.998651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.998651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.998651 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.083 local terms energy: -24.410214 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -37.506484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.506484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.506484 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.136 Base-Backbone interact. energy: -0.100 local terms energy: -26.149149 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -3.562 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -35.360014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.360014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.360014 (E_RNA) where: Base-Base interactions energy: -9.499 where: short stacking energy: -9.499 Base-Backbone interact. energy: -0.001 local terms energy: -25.860076 where: bonds (distance) C4'-P energy: -5.545 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -1.929 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: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -29.394688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.394688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.394688 (E_RNA) where: Base-Base interactions energy: -6.545 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.264 local terms energy: -22.585723 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -33.872458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872458 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.147 local terms energy: -25.626547 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -1.630 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: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -32.555694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.555694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.555694 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -9.020 Base-Backbone interact. energy: -0.105 local terms energy: -23.431286 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -4.708 flat angles C4'-P-C4' energy: -5.579 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.816 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: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -29.187104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.187104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.187104 (E_RNA) where: Base-Base interactions energy: -6.680 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.033 local terms energy: -22.473622 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: 0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -33.704573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.704573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.704573 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.791 local terms energy: -22.426715 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: 0.322 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: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -30.462016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.462016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.462016 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.007 local terms energy: -21.443878 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -29.634545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.634545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.634545 (E_RNA) where: Base-Base interactions energy: -8.006 where: short stacking energy: -8.006 Base-Backbone interact. energy: -0.094 local terms energy: -21.534366 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -42.488996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.488996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.488996 (E_RNA) where: Base-Base interactions energy: -15.393 where: short stacking energy: -15.393 Base-Backbone interact. energy: -0.000 local terms energy: -27.095611 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -35.609491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.609491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.609491 (E_RNA) where: Base-Base interactions energy: -7.933 where: short stacking energy: -7.933 Base-Backbone interact. energy: -0.034 local terms energy: -27.642642 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -5.581 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -34.396111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.396111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.396111 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -8.448 Base-Backbone interact. energy: -0.025 local terms energy: -18.523260 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -0.727 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -35.382765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.382765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.382765 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.062 local terms energy: -27.758427 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -36.300487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.300487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.300487 (E_RNA) where: Base-Base interactions energy: -10.503 where: short stacking energy: -10.503 Base-Backbone interact. energy: -0.001 local terms energy: -25.796225 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.589 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: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -27.685121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.685121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.685121 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.035 local terms energy: -19.627331 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: 0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -32.392246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.392246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.392246 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.009 local terms energy: -21.632821 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.265 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -0.229 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: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -33.287506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.287506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.287506 (E_RNA) where: Base-Base interactions energy: -11.001 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.016 local terms energy: -22.270788 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -1.958 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: 9, replica: 8 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -27.493355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.493355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.493355 (E_RNA) where: Base-Base interactions energy: -4.137 where: short stacking energy: -4.137 Base-Backbone interact. energy: -0.068 local terms energy: -23.288893 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -28.854833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.854833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.854833 (E_RNA) where: Base-Base interactions energy: -7.940 where: short stacking energy: -7.940 Base-Backbone interact. energy: -0.022 local terms energy: -20.893633 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -5.087 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -1.265 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: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -43.343079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.343079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.343079 (E_RNA) where: Base-Base interactions energy: -15.272 where: short stacking energy: -15.272 Base-Backbone interact. energy: -0.000 local terms energy: -28.070786 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -39.866930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.866930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.866930 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.069 local terms energy: -25.903431 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -43.376124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.376124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.376124 (E_RNA) where: Base-Base interactions energy: -13.861 where: short stacking energy: -13.861 Base-Backbone interact. energy: -0.000 local terms energy: -29.514922 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -34.111887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.111887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.111887 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.100 local terms energy: -24.478094 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -34.873688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.873688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.873688 (E_RNA) where: Base-Base interactions energy: -9.983 where: short stacking energy: -9.983 Base-Backbone interact. energy: -0.015 local terms energy: -24.875857 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -31.160428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.160428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.160428 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.709 Base-Backbone interact. energy: -0.129 local terms energy: -24.301768 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -30.217461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.217461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.217461 (E_RNA) where: Base-Base interactions energy: -8.859 where: short stacking energy: -8.859 Base-Backbone interact. energy: -0.178 local terms energy: -21.180976 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -30.038200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.038200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.038200 (E_RNA) where: Base-Base interactions energy: -8.288 where: short stacking energy: -5.351 Base-Backbone interact. energy: -0.076 local terms energy: -21.674474 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -0.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -27.302820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.302820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.302820 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: -5.602 Base-Backbone interact. energy: -0.001 local terms energy: -21.700109 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -0.452 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: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -28.397032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397032 (E_RNA) where: Base-Base interactions energy: -4.702 where: short stacking energy: -4.702 Base-Backbone interact. energy: -0.020 local terms energy: -23.674792 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -35.656094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.656094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.656094 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.825 Base-Backbone interact. energy: -1.121 local terms energy: -22.810534 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -39.554961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.554961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.554961 (E_RNA) where: Base-Base interactions energy: -14.737 where: short stacking energy: -14.737 Base-Backbone interact. energy: -0.002 local terms energy: -24.815689 where: bonds (distance) C4'-P energy: -3.620 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -37.766330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.766330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.766330 (E_RNA) where: Base-Base interactions energy: -10.160 where: short stacking energy: -10.160 Base-Backbone interact. energy: -0.099 local terms energy: -27.508260 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -36.330979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.330979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.330979 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.056 local terms energy: -25.792752 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.554 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -32.388680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.388680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.388680 (E_RNA) where: Base-Base interactions energy: -5.559 where: short stacking energy: -5.559 Base-Backbone interact. energy: -0.011 local terms energy: -26.819152 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.202 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -30.600698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.600698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.600698 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.002 local terms energy: -22.846448 where: bonds (distance) C4'-P energy: -5.069 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -30.801658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.801658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.801658 (E_RNA) where: Base-Base interactions energy: -5.691 where: short stacking energy: -5.691 Base-Backbone interact. energy: -0.105 local terms energy: -25.005993 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -2.352 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -28.284018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.284018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.284018 (E_RNA) where: Base-Base interactions energy: -6.278 where: short stacking energy: -6.278 Base-Backbone interact. energy: -0.028 local terms energy: -21.977913 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: 1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -34.312928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.312928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.312928 (E_RNA) where: Base-Base interactions energy: -9.482 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.000 local terms energy: -24.830906 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -31.745999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745999 (E_RNA) where: Base-Base interactions energy: -7.965 where: short stacking energy: -6.438 Base-Backbone interact. energy: -0.057 local terms energy: -23.724331 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.308 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: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -37.462247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.462247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.462247 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.000 local terms energy: -24.225421 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -1.411 tors. eta vs tors. theta energy: -2.488 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: 7 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -39.842523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.842523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.842523 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.000 local terms energy: -25.726735 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -31.668310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.668310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.668310 (E_RNA) where: Base-Base interactions energy: -9.793 where: short stacking energy: -8.199 Base-Backbone interact. energy: 0.978 local terms energy: -22.853355 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -34.818801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.818801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.818801 (E_RNA) where: Base-Base interactions energy: -12.400 where: short stacking energy: -12.400 Base-Backbone interact. energy: -0.000 local terms energy: -22.419183 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -1.813 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -33.623301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.623301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.623301 (E_RNA) where: Base-Base interactions energy: -11.672 where: short stacking energy: -11.672 Base-Backbone interact. energy: -0.127 local terms energy: -21.824083 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.038 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -1.352 tors. eta vs tors. theta energy: -1.672 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: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -30.336156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336156 (E_RNA) where: Base-Base interactions energy: -9.237 where: short stacking energy: -9.237 Base-Backbone interact. energy: -0.106 local terms energy: -20.992565 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -2.934 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -32.852894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.852894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.852894 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.177 local terms energy: -25.875501 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -0.168 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: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -32.060905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.060905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.060905 (E_RNA) where: Base-Base interactions energy: -8.611 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.078 local terms energy: -23.372061 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.316 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -1.396 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: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -30.514871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.514871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.514871 (E_RNA) where: Base-Base interactions energy: -11.654 where: short stacking energy: -11.654 Base-Backbone interact. energy: -0.011 local terms energy: -18.849461 where: bonds (distance) C4'-P energy: -0.657 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -2.489 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: 10, replica: 5 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -30.530707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.530707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.530707 (E_RNA) where: Base-Base interactions energy: -5.550 where: short stacking energy: -5.550 Base-Backbone interact. energy: -0.013 local terms energy: -24.967660 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -43.056787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.056787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.056787 (E_RNA) where: Base-Base interactions energy: -14.266 where: short stacking energy: -14.266 Base-Backbone interact. energy: -0.000 local terms energy: -28.790295 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -6.062 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -35.754739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.754739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.754739 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.000 local terms energy: -27.642337 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -38.358916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.358916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.358916 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.000 local terms energy: -27.816004 where: bonds (distance) C4'-P energy: -6.017 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -32.843237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.843237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.843237 (E_RNA) where: Base-Base interactions energy: -8.581 where: short stacking energy: -8.581 Base-Backbone interact. energy: -0.017 local terms energy: -24.245385 where: bonds (distance) C4'-P energy: -3.718 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -33.000945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000945 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.876 local terms energy: -25.230594 where: bonds (distance) C4'-P energy: -5.049 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -0.265 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: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -35.774257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774257 (E_RNA) where: Base-Base interactions energy: -11.249 where: short stacking energy: -11.249 Base-Backbone interact. energy: -0.000 local terms energy: -24.524519 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -34.576143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.576143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.576143 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.926 local terms energy: -21.580002 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -4.685 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -5.830 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: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -29.759915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.759915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.759915 (E_RNA) where: Base-Base interactions energy: -6.048 where: short stacking energy: -6.048 Base-Backbone interact. energy: -0.049 local terms energy: -23.663213 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -2.679 tors. eta vs tors. theta energy: -0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -27.323566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.323566 (E_RNA) where: Base-Base interactions energy: -6.184 where: short stacking energy: -6.184 Base-Backbone interact. energy: -0.062 local terms energy: -21.077705 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -4.714 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -34.806807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806807 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.025 local terms energy: -24.599460 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -45.180089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.180089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.180089 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.000 local terms energy: -29.624947 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -36.927400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927400 (E_RNA) where: Base-Base interactions energy: -9.160 where: short stacking energy: -9.160 Base-Backbone interact. energy: -0.038 local terms energy: -27.729594 where: bonds (distance) C4'-P energy: -6.722 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -3.272 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: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -37.972917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.972917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.972917 (E_RNA) where: Base-Base interactions energy: -15.515 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.022 local terms energy: -22.435601 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -32.649631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.649631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.649631 (E_RNA) where: Base-Base interactions energy: -9.328 where: short stacking energy: -9.328 Base-Backbone interact. energy: -0.176 local terms energy: -23.145877 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -0.705 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: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -35.658549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.658549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.658549 (E_RNA) where: Base-Base interactions energy: -8.839 where: short stacking energy: -8.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.819075 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -32.824879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.824879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.824879 (E_RNA) where: Base-Base interactions energy: -11.079 where: short stacking energy: -11.079 Base-Backbone interact. energy: -0.244 local terms energy: -21.502104 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -3.309 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -29.727030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.727030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.727030 (E_RNA) where: Base-Base interactions energy: -7.741 where: short stacking energy: -7.741 Base-Backbone interact. energy: -0.061 local terms energy: -21.925059 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -0.221 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: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -31.936583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.936583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.936583 (E_RNA) where: Base-Base interactions energy: -5.652 where: short stacking energy: -5.652 Base-Backbone interact. energy: -0.006 local terms energy: -26.278686 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -33.868827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.868827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.868827 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.000 local terms energy: -26.970581 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -2.271 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: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -27.918398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.918398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.918398 (E_RNA) where: Base-Base interactions energy: -3.654 where: short stacking energy: -3.654 Base-Backbone interact. energy: -0.037 local terms energy: -24.227000 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.523 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -0.918 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: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -38.485682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.485682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.485682 (E_RNA) where: Base-Base interactions energy: -11.382 where: short stacking energy: -11.382 Base-Backbone interact. energy: -0.313 local terms energy: -26.790275 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -43.075968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.075968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.075968 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.000 local terms energy: -28.480949 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -2.774 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -38.131046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.131046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.131046 (E_RNA) where: Base-Base interactions energy: -12.228 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.001 local terms energy: -25.901933 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -5.167 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: 332 Temperature: 1.050000 Total energy: -34.067605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.067605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.067605 (E_RNA) where: Base-Base interactions energy: -8.930 where: short stacking energy: -7.024 Base-Backbone interact. energy: -0.042 local terms energy: -25.095525 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -34.415076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.415076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.415076 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.190 local terms energy: -27.414950 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -3.852 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: 6, replica: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -32.393089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.393089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.393089 (E_RNA) where: Base-Base interactions energy: -5.395 where: short stacking energy: -4.581 Base-Backbone interact. energy: -0.005 local terms energy: -26.992579 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -4.282 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: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -28.847009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.847009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.847009 (E_RNA) where: Base-Base interactions energy: -4.569 where: short stacking energy: -4.569 Base-Backbone interact. energy: -0.181 local terms energy: -24.097441 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -0.594 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: 332 Temperature: 1.250000 Total energy: -30.246590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.246590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.246590 (E_RNA) where: Base-Base interactions energy: -7.495 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.069 local terms energy: -22.682694 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.507 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: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -29.913922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.913922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.913922 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.000 local terms energy: -21.599702 where: bonds (distance) C4'-P energy: -4.862 bonds (distance) P-C4' energy: -3.744 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -3.034 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: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -29.320978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.320978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.320978 (E_RNA) where: Base-Base interactions energy: -5.770 where: short stacking energy: -5.770 Base-Backbone interact. energy: -0.153 local terms energy: -23.398878 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -39.028265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.028265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.028265 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.000 local terms energy: -23.180940 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -4.609 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.537 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: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -37.247413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.247413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.247413 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.095 local terms energy: -26.804550 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -34.605486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605486 (E_RNA) where: Base-Base interactions energy: -10.648 where: short stacking energy: -10.648 Base-Backbone interact. energy: -0.003 local terms energy: -23.954211 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -3.386 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: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -35.136383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.136383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.136383 (E_RNA) where: Base-Base interactions energy: -8.548 where: short stacking energy: -8.548 Base-Backbone interact. energy: -0.013 local terms energy: -26.575201 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -35.350548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.350548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.350548 (E_RNA) where: Base-Base interactions energy: -10.522 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.000 local terms energy: -24.828639 where: bonds (distance) C4'-P energy: -3.684 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -5.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -32.013099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.013099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.013099 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.389 Base-Backbone interact. energy: -0.113 local terms energy: -25.511062 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -1.236 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: 333 Temperature: 1.200000 Total energy: -36.282264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.282264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.282264 (E_RNA) where: Base-Base interactions energy: -11.761 where: short stacking energy: -11.761 Base-Backbone interact. energy: -0.001 local terms energy: -24.520661 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -27.565390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.565390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.565390 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.098 local terms energy: -19.980601 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -1.093 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -29.590332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.590332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.590332 (E_RNA) where: Base-Base interactions energy: -5.217 where: short stacking energy: -5.217 Base-Backbone interact. energy: -0.005 local terms energy: -24.368879 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -32.491190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.491190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.491190 (E_RNA) where: Base-Base interactions energy: -7.522 where: short stacking energy: -7.522 Base-Backbone interact. energy: -0.002 local terms energy: -24.967604 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -39.043165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.043165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.043165 (E_RNA) where: Base-Base interactions energy: -13.285 where: short stacking energy: -13.285 Base-Backbone interact. energy: -0.000 local terms energy: -25.758159 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -40.129528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.129528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.129528 (E_RNA) where: Base-Base interactions energy: -11.777 where: short stacking energy: -11.777 Base-Backbone interact. energy: -0.000 local terms energy: -28.352369 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -38.053895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.053895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.053895 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -10.808 Base-Backbone interact. energy: -0.000 local terms energy: -27.246271 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.185 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -34.231846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231846 (E_RNA) where: Base-Base interactions energy: -11.490 where: short stacking energy: -11.490 Base-Backbone interact. energy: -0.000 local terms energy: -22.741464 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: -4.581 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: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -29.217345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.217345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.217345 (E_RNA) where: Base-Base interactions energy: -8.249 where: short stacking energy: -8.249 Base-Backbone interact. energy: -0.008 local terms energy: -20.960063 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: 0.861 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: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -32.480909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.480909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.480909 (E_RNA) where: Base-Base interactions energy: -10.018 where: short stacking energy: -10.018 Base-Backbone interact. energy: -0.039 local terms energy: -22.423550 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -5.778 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -30.927723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.927723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.927723 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -7.091 Base-Backbone interact. energy: -0.116 local terms energy: -22.785544 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -0.423 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: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -33.721826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.721826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.721826 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.067 local terms energy: -25.987067 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -35.023562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023562 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.096 local terms energy: -25.042675 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -28.094374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.094374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.094374 (E_RNA) where: Base-Base interactions energy: -8.655 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.077 local terms energy: -19.362240 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.508 flat angles P-C4'-P energy: 0.759 tors. eta vs tors. theta energy: -3.761 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: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -41.430094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.430094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.430094 (E_RNA) where: Base-Base interactions energy: -13.320 where: short stacking energy: -13.320 Base-Backbone interact. energy: -0.025 local terms energy: -28.084945 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -2.018 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: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -36.382341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.382341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.382341 (E_RNA) where: Base-Base interactions energy: -13.520 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.002 local terms energy: -22.860377 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.875 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: 335 Temperature: 1.000000 Total energy: -35.435204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.435204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.435204 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.014 local terms energy: -23.717254 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.092 flat angles P-C4'-P energy: -3.972 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: 4, replica: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -32.228155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.228155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.228155 (E_RNA) where: Base-Base interactions energy: -8.189 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.001 local terms energy: -24.038897 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -37.138093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.138093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.138093 (E_RNA) where: Base-Base interactions energy: -11.369 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.055 local terms energy: -25.713820 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.963 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -31.662504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.662504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.662504 (E_RNA) where: Base-Base interactions energy: -8.674 where: short stacking energy: -8.674 Base-Backbone interact. energy: -0.115 local terms energy: -22.873710 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -30.611669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.611669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.611669 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.791 Base-Backbone interact. energy: -0.081 local terms energy: -23.738741 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -1.612 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: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -29.953613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953613 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: -6.126 Base-Backbone interact. energy: -0.000 local terms energy: -23.827296 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -30.749251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.749251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.749251 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.000 local terms energy: -23.276354 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.178 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -28.640924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.640924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.640924 (E_RNA) where: Base-Base interactions energy: -5.819 where: short stacking energy: -5.819 Base-Backbone interact. energy: -0.000 local terms energy: -22.822055 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -40.974057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974057 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.000 local terms energy: -28.807521 where: bonds (distance) C4'-P energy: -6.953 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -3.757 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: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -34.185416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185416 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.037 local terms energy: -26.057146 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -31.273574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.273574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.273574 (E_RNA) where: Base-Base interactions energy: -4.199 where: short stacking energy: -4.199 Base-Backbone interact. energy: -0.035 local terms energy: -27.039951 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -35.357012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357012 (E_RNA) where: Base-Base interactions energy: -7.868 where: short stacking energy: -7.868 Base-Backbone interact. energy: 0.002 local terms energy: -27.491104 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -30.787225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.787225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.787225 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -8.534 Base-Backbone interact. energy: -0.011 local terms energy: -21.057858 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -5.329 flat angles C4'-P-C4' energy: -2.569 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -2.748 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: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -42.754493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.754493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.754493 (E_RNA) where: Base-Base interactions energy: -15.119 where: short stacking energy: -15.119 Base-Backbone interact. energy: -0.001 local terms energy: -27.635182 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -1.219 tors. eta vs tors. theta energy: -4.774 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: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -35.046846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.046846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.046846 (E_RNA) where: Base-Base interactions energy: -10.810 where: short stacking energy: -10.810 Base-Backbone interact. energy: -0.071 local terms energy: -24.166235 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.861 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: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -38.621452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.621452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.621452 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.093 local terms energy: -27.712211 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -28.049578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.049578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.049578 (E_RNA) where: Base-Base interactions energy: -5.986 where: short stacking energy: -5.986 Base-Backbone interact. energy: -0.052 local terms energy: -22.012497 where: bonds (distance) C4'-P energy: -5.061 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -3.272 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: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -29.577892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.577892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.577892 (E_RNA) where: Base-Base interactions energy: -6.094 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.088 local terms energy: -23.395895 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -42.685204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.685204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.685204 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -12.817 Base-Backbone interact. energy: -0.001 local terms energy: -29.867705 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -4.797 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: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -35.410385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410385 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.027 local terms energy: -28.196979 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -41.788322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.788322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.788322 (E_RNA) where: Base-Base interactions energy: -13.324 where: short stacking energy: -13.324 Base-Backbone interact. energy: -0.001 local terms energy: -28.463192 where: bonds (distance) C4'-P energy: -6.286 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -5.232 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: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -33.431997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.431997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.431997 (E_RNA) where: Base-Base interactions energy: -9.743 where: short stacking energy: -8.889 Base-Backbone interact. energy: -0.119 local terms energy: -23.569931 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -34.369893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.369893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.369893 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.000 local terms energy: -27.845455 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -32.475649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.475649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.475649 (E_RNA) where: Base-Base interactions energy: -10.883 where: short stacking energy: -10.883 Base-Backbone interact. energy: -0.000 local terms energy: -21.592636 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -1.364 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -28.827021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.827021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.827021 (E_RNA) where: Base-Base interactions energy: -10.508 where: short stacking energy: -10.508 Base-Backbone interact. energy: -0.050 local terms energy: -18.268988 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -2.632 flat angles P-C4'-P energy: -1.060 tors. eta vs tors. theta energy: -0.594 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: 337 Temperature: 1.250000 Total energy: -27.909273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.909273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.909273 (E_RNA) where: Base-Base interactions energy: -7.905 where: short stacking energy: -3.921 Base-Backbone interact. energy: 0.257 local terms energy: -20.261678 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -1.207 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -26.891757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.891757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.891757 (E_RNA) where: Base-Base interactions energy: -3.074 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.007 local terms energy: -23.811099 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: 0.452 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: 337 Temperature: 1.350000 Total energy: -30.160567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160567 (E_RNA) where: Base-Base interactions energy: -6.601 where: short stacking energy: -3.345 Base-Backbone interact. energy: -0.475 local terms energy: -23.084225 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: 0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -44.413969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.413969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.413969 (E_RNA) where: Base-Base interactions energy: -15.505 where: short stacking energy: -15.505 Base-Backbone interact. energy: -0.001 local terms energy: -28.907575 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.345 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: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -36.627786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.627786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.627786 (E_RNA) where: Base-Base interactions energy: -11.677 where: short stacking energy: -11.677 Base-Backbone interact. energy: -1.216 local terms energy: -23.735559 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -37.651357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.651357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.651357 (E_RNA) where: Base-Base interactions energy: -12.395 where: short stacking energy: -12.395 Base-Backbone interact. energy: -0.002 local terms energy: -25.253664 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -33.004199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.004199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.004199 (E_RNA) where: Base-Base interactions energy: -5.003 where: short stacking energy: -4.359 Base-Backbone interact. energy: -0.012 local terms energy: -27.988732 where: bonds (distance) C4'-P energy: -5.619 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -4.483 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: 338 Temperature: 1.100000 Total energy: -34.811784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.811784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.811784 (E_RNA) where: Base-Base interactions energy: -12.569 where: short stacking energy: -12.569 Base-Backbone interact. energy: -0.008 local terms energy: -22.234793 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -4.945 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -2.126 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: 6, replica: 10 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -29.656376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.656376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.656376 (E_RNA) where: Base-Base interactions energy: -4.157 where: short stacking energy: -4.157 Base-Backbone interact. energy: -0.106 local terms energy: -25.394064 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.660 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -32.681897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.681897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.681897 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: -5.957 Base-Backbone interact. energy: -0.065 local terms energy: -26.659852 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -3.759 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: 338 Temperature: 1.250000 Total energy: -29.497394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.497394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.497394 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.001 local terms energy: -21.741518 where: bonds (distance) C4'-P energy: -5.806 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -26.919857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.919857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.919857 (E_RNA) where: Base-Base interactions energy: -2.786 where: short stacking energy: -2.786 Base-Backbone interact. energy: -0.077 local terms energy: -24.056426 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -0.394 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -28.763407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.763407 (E_RNA) where: Base-Base interactions energy: -4.217 where: short stacking energy: -4.217 Base-Backbone interact. energy: -0.012 local terms energy: -24.534307 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -2.858 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -41.512865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.512865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.512865 (E_RNA) where: Base-Base interactions energy: -14.634 where: short stacking energy: -14.634 Base-Backbone interact. energy: -0.010 local terms energy: -26.868987 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -35.157707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.157707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.157707 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.088 local terms energy: -23.735581 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -37.433425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.433425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.433425 (E_RNA) where: Base-Base interactions energy: -11.644 where: short stacking energy: -11.644 Base-Backbone interact. energy: -1.185 local terms energy: -24.604183 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.758 flat angles C4'-P-C4' energy: -1.913 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -39.841673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.841673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.841673 (E_RNA) where: Base-Base interactions energy: -11.784 where: short stacking energy: -11.784 Base-Backbone interact. energy: -0.000 local terms energy: -28.057980 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -3.844 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: 339 Temperature: 1.100000 Total energy: -33.551935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.551935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.551935 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.011 local terms energy: -24.160092 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -31.570786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.570786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.570786 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.765 local terms energy: -20.075389 where: bonds (distance) C4'-P energy: -2.110 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -0.995 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -29.933254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.933254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.933254 (E_RNA) where: Base-Base interactions energy: -2.223 where: short stacking energy: -2.223 Base-Backbone interact. energy: -0.029 local terms energy: -27.681488 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -1.731 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: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -30.125731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.125731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.125731 (E_RNA) where: Base-Base interactions energy: -9.044 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.281 local terms energy: -20.800898 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -4.289 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: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -30.514285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.514285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.514285 (E_RNA) where: Base-Base interactions energy: -5.356 where: short stacking energy: -5.356 Base-Backbone interact. energy: -0.069 local terms energy: -25.089226 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -30.115793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.115793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.115793 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.000 local terms energy: -21.313572 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -44.400936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.400936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.400936 (E_RNA) where: Base-Base interactions energy: -14.675 where: short stacking energy: -14.675 Base-Backbone interact. energy: -0.002 local terms energy: -29.723502 where: bonds (distance) C4'-P energy: -6.688 bonds (distance) P-C4' energy: -6.451 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -6.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -35.823216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.823216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.823216 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -28.275903 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -34.051327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.051327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.051327 (E_RNA) where: Base-Base interactions energy: -7.622 where: short stacking energy: -7.622 Base-Backbone interact. energy: -0.072 local terms energy: -26.357040 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -33.832697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.832697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.832697 (E_RNA) where: Base-Base interactions energy: -10.522 where: short stacking energy: -10.522 Base-Backbone interact. energy: -0.005 local terms energy: -23.305910 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -1.037 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: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -29.207307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.207307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.207307 (E_RNA) where: Base-Base interactions energy: -5.128 where: short stacking energy: -5.128 Base-Backbone interact. energy: -0.232 local terms energy: -23.847713 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -35.148842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.148842 (E_RNA) where: Base-Base interactions energy: -11.006 where: short stacking energy: -11.006 Base-Backbone interact. energy: -0.013 local terms energy: -24.129785 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -2.457 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: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -31.197369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.197369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.197369 (E_RNA) where: Base-Base interactions energy: -10.105 where: short stacking energy: -10.105 Base-Backbone interact. energy: -0.000 local terms energy: -21.092388 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -32.891945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.891945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.891945 (E_RNA) where: Base-Base interactions energy: -9.506 where: short stacking energy: -9.506 Base-Backbone interact. energy: -0.006 local terms energy: -23.379771 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -3.330 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: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -29.108787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.108787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.108787 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.190 Base-Backbone interact. energy: -0.002 local terms energy: -22.917562 where: bonds (distance) C4'-P energy: -3.913 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -3.434 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: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -33.752883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.752883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.752883 (E_RNA) where: Base-Base interactions energy: -5.571 where: short stacking energy: -6.471 Base-Backbone interact. energy: -0.030 local terms energy: -28.152586 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -43.352720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.352720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.352720 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.107 local terms energy: -29.189142 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -33.997146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.997146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.997146 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -7.914 Base-Backbone interact. energy: -0.225 local terms energy: -23.290720 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -40.646041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.646041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.646041 (E_RNA) where: Base-Base interactions energy: -15.096 where: short stacking energy: -15.096 Base-Backbone interact. energy: -0.000 local terms energy: -25.549747 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -33.785783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.785783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.785783 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.003 local terms energy: -23.130147 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -1.184 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -32.477652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.477652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.477652 (E_RNA) where: Base-Base interactions energy: -8.640 where: short stacking energy: -8.640 Base-Backbone interact. energy: -0.118 local terms energy: -23.719435 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -35.183143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.183143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.183143 (E_RNA) where: Base-Base interactions energy: -12.238 where: short stacking energy: -12.238 Base-Backbone interact. energy: -0.000 local terms energy: -22.945368 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -4.695 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: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -27.897162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.897162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.897162 (E_RNA) where: Base-Base interactions energy: -3.734 where: short stacking energy: -3.734 Base-Backbone interact. energy: 0.049 local terms energy: -24.212015 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.557 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -30.391010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.391010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.391010 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: 0.704 local terms energy: -19.360249 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -29.736480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.736480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.736480 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.005 local terms energy: -21.944723 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -1.110 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -27.294551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.294551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.294551 (E_RNA) where: Base-Base interactions energy: -5.171 where: short stacking energy: -4.458 Base-Backbone interact. energy: -1.821 local terms energy: -20.302291 where: bonds (distance) C4'-P energy: -3.852 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: 0.817 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: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -35.778623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.778623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.778623 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.102 local terms energy: -24.824095 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -37.766410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.766410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.766410 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.084 local terms energy: -28.236709 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -34.172777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.172777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.172777 (E_RNA) where: Base-Base interactions energy: -11.074 where: short stacking energy: -11.074 Base-Backbone interact. energy: -0.066 local terms energy: -23.032735 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -3.915 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -39.669034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.669034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.669034 (E_RNA) where: Base-Base interactions energy: -14.752 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.000 local terms energy: -24.916531 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -3.582 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: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -32.247050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.247050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.247050 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.000 local terms energy: -25.287407 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -31.317187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.317187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.317187 (E_RNA) where: Base-Base interactions energy: -9.180 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.060 local terms energy: -22.077234 where: bonds (distance) C4'-P energy: -5.314 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -34.666029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.666029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.666029 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.160 local terms energy: -22.681153 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: 0.520 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: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -29.805120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.805120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.805120 (E_RNA) where: Base-Base interactions energy: -10.350 where: short stacking energy: -10.350 Base-Backbone interact. energy: -0.001 local terms energy: -19.453780 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -3.693 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -0.265 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: 9, replica: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -28.100475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.100475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.100475 (E_RNA) where: Base-Base interactions energy: -3.984 where: short stacking energy: -3.984 Base-Backbone interact. energy: -0.060 local terms energy: -24.056787 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -0.180 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: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -27.210527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.210527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.210527 (E_RNA) where: Base-Base interactions energy: -3.365 where: short stacking energy: -3.365 Base-Backbone interact. energy: 0.189 local terms energy: -24.034413 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: 0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -37.195751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.195751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.195751 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: -0.086 local terms energy: -26.246780 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -1.554 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: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -32.628000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.628000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.628000 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.008 local terms energy: -25.052951 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -36.412113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.412113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.412113 (E_RNA) where: Base-Base interactions energy: -10.277 where: short stacking energy: -10.277 Base-Backbone interact. energy: -0.025 local terms energy: -26.109643 where: bonds (distance) C4'-P energy: -3.046 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -3.823 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: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -32.026146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.026146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.026146 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.300 local terms energy: -24.893022 where: bonds (distance) C4'-P energy: -5.131 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -2.902 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: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -35.146790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.146790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.146790 (E_RNA) where: Base-Base interactions energy: -8.915 where: short stacking energy: -8.915 Base-Backbone interact. energy: -0.879 local terms energy: -25.353031 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -1.284 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: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -31.772554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.772554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.772554 (E_RNA) where: Base-Base interactions energy: -10.535 where: short stacking energy: -3.351 Base-Backbone interact. energy: -0.089 local terms energy: -21.148069 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.969 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -1.484 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: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -29.895800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895800 (E_RNA) where: Base-Base interactions energy: -7.941 where: short stacking energy: -7.941 Base-Backbone interact. energy: -0.001 local terms energy: -21.953776 where: bonds (distance) C4'-P energy: -4.729 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.214 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: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -29.145966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.145966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.145966 (E_RNA) where: Base-Base interactions energy: -7.094 where: short stacking energy: -7.094 Base-Backbone interact. energy: 0.165 local terms energy: -22.217229 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.025 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: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -30.764114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.764114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.764114 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.020 local terms energy: -24.437080 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -27.673787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673787 (E_RNA) where: Base-Base interactions energy: -5.572 where: short stacking energy: -5.572 Base-Backbone interact. energy: -0.019 local terms energy: -22.082085 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -2.160 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -37.269472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.269472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.269472 (E_RNA) where: Base-Base interactions energy: -13.287 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.000 local terms energy: -23.981777 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -36.869066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.869066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.869066 (E_RNA) where: Base-Base interactions energy: -11.679 where: short stacking energy: -11.679 Base-Backbone interact. energy: -0.366 local terms energy: -24.824166 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -41.912766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.912766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.912766 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -14.754 Base-Backbone interact. energy: -0.221 local terms energy: -24.984197 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -42.178168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.178168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.178168 (E_RNA) where: Base-Base interactions energy: -13.589 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.000 local terms energy: -28.588732 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -34.993244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.993244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.993244 (E_RNA) where: Base-Base interactions energy: -10.393 where: short stacking energy: -10.393 Base-Backbone interact. energy: -0.000 local terms energy: -24.599448 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -1.268 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: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -32.918017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.918017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.918017 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.910 local terms energy: -24.378811 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -30.106971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.106971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.106971 (E_RNA) where: Base-Base interactions energy: -5.295 where: short stacking energy: -5.295 Base-Backbone interact. energy: -0.067 local terms energy: -24.744437 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -29.531023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.531023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.531023 (E_RNA) where: Base-Base interactions energy: -5.955 where: short stacking energy: -5.955 Base-Backbone interact. energy: -0.003 local terms energy: -23.573459 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -31.396378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.396378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.396378 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.097 local terms energy: -23.721134 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -1.056 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: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -28.104259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.104259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.104259 (E_RNA) where: Base-Base interactions energy: -5.005 where: short stacking energy: -5.005 Base-Backbone interact. energy: -0.246 local terms energy: -22.853060 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -5.105 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: 0.338 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: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -36.988613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.988613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.988613 (E_RNA) where: Base-Base interactions energy: -10.785 where: short stacking energy: -10.785 Base-Backbone interact. energy: -0.964 local terms energy: -25.239163 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -36.709839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.709839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.709839 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.015 local terms energy: -24.674263 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -35.231888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231888 (E_RNA) where: Base-Base interactions energy: -11.562 where: short stacking energy: -11.562 Base-Backbone interact. energy: -0.066 local terms energy: -23.604122 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -0.157 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: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -28.995314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.995314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.995314 (E_RNA) where: Base-Base interactions energy: -4.099 where: short stacking energy: -4.099 Base-Backbone interact. energy: -0.590 local terms energy: -24.306211 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: 1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -33.579045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.579045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.579045 (E_RNA) where: Base-Base interactions energy: -9.373 where: short stacking energy: -9.373 Base-Backbone interact. energy: -0.059 local terms energy: -24.147428 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -33.978397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.978397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.978397 (E_RNA) where: Base-Base interactions energy: -8.568 where: short stacking energy: -8.568 Base-Backbone interact. energy: -0.001 local terms energy: -25.409381 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.462 tors. eta vs tors. theta energy: -0.760 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: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -30.937185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937185 (E_RNA) where: Base-Base interactions energy: -6.176 where: short stacking energy: -6.176 Base-Backbone interact. energy: -0.003 local terms energy: -24.758230 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -33.039684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.039684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.039684 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.003 local terms energy: -26.231503 where: bonds (distance) C4'-P energy: -4.652 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -29.576696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.576696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.576696 (E_RNA) where: Base-Base interactions energy: -4.170 where: short stacking energy: -3.445 Base-Backbone interact. energy: -0.007 local terms energy: -25.399990 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -28.351912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.351912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.351912 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.017 local terms energy: -20.891039 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: 1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -38.215745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.215745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.215745 (E_RNA) where: Base-Base interactions energy: -10.940 where: short stacking energy: -10.940 Base-Backbone interact. energy: -0.102 local terms energy: -27.173911 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -1.546 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -36.448798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.448798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.448798 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.000 local terms energy: -25.721529 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -4.081 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: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -38.524601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.524601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.524601 (E_RNA) where: Base-Base interactions energy: -11.847 where: short stacking energy: -11.847 Base-Backbone interact. energy: -0.000 local terms energy: -26.678027 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -3.735 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: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -36.356816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.356816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.356816 (E_RNA) where: Base-Base interactions energy: -11.550 where: short stacking energy: -11.550 Base-Backbone interact. energy: -0.009 local terms energy: -24.797430 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -32.019162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.019162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.019162 (E_RNA) where: Base-Base interactions energy: -7.297 where: short stacking energy: -7.297 Base-Backbone interact. energy: -0.007 local terms energy: -24.714496 where: bonds (distance) C4'-P energy: -4.891 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -33.438679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.438679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.438679 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: 0.211 local terms energy: -22.779664 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -0.946 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: 346 Temperature: 1.200000 Total energy: -33.656422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.656422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.656422 (E_RNA) where: Base-Base interactions energy: -5.842 where: short stacking energy: -5.842 Base-Backbone interact. energy: -0.005 local terms energy: -27.809336 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -31.307255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.307255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.307255 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: -5.585 Base-Backbone interact. energy: -0.113 local terms energy: -25.609240 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -0.541 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: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -27.681544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.681544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.681544 (E_RNA) where: Base-Base interactions energy: -5.049 where: short stacking energy: -5.049 Base-Backbone interact. energy: -0.000 local terms energy: -22.632065 where: bonds (distance) C4'-P energy: -5.317 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -31.203181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.203181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.203181 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.000 local terms energy: -25.263067 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -38.775897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.775897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.775897 (E_RNA) where: Base-Base interactions energy: -12.033 where: short stacking energy: -12.033 Base-Backbone interact. energy: -0.067 local terms energy: -26.675491 where: bonds (distance) C4'-P energy: -6.970 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.467 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: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -38.455375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.455375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.455375 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.116 Base-Backbone interact. energy: 0.075 local terms energy: -28.414157 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -39.029057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.029057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.029057 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.000 local terms energy: -27.219919 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -2.218 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: 4, replica: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -32.719398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.719398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.719398 (E_RNA) where: Base-Base interactions energy: -4.692 where: short stacking energy: -4.692 Base-Backbone interact. energy: -0.040 local terms energy: -27.987938 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -32.878541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.878541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.878541 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: -0.000 local terms energy: -24.176917 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -2.190 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: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -32.839518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.839518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.839518 (E_RNA) where: Base-Base interactions energy: -6.645 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.132 local terms energy: -26.063043 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -29.967443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967443 (E_RNA) where: Base-Base interactions energy: -7.937 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.097 local terms energy: -21.933691 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -31.387153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387153 (E_RNA) where: Base-Base interactions energy: -8.410 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.000 local terms energy: -22.977429 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: 1.970 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: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -31.805419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805419 (E_RNA) where: Base-Base interactions energy: -8.991 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.001 local terms energy: -22.813430 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -5.277 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -3.033 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: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -31.006441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.006441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.006441 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -6.672 Base-Backbone interact. energy: -1.252 local terms energy: -22.560892 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -43.156132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156132 (E_RNA) where: Base-Base interactions energy: -15.060 where: short stacking energy: -15.060 Base-Backbone interact. energy: -0.000 local terms energy: -28.096408 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -4.902 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -41.895277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.895277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.895277 (E_RNA) where: Base-Base interactions energy: -15.369 where: short stacking energy: -14.765 Base-Backbone interact. energy: -0.043 local terms energy: -26.483175 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -3.583 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -36.115060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.115060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.115060 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -12.163 Base-Backbone interact. energy: -0.005 local terms energy: -23.947607 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -35.001493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.001493 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.608 Base-Backbone interact. energy: -2.271 local terms energy: -25.677330 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -2.057 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -39.194837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.194837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.194837 (E_RNA) where: Base-Base interactions energy: -11.222 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.000 local terms energy: -27.972765 where: bonds (distance) C4'-P energy: -4.884 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -5.701 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: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -31.493156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.493156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.493156 (E_RNA) where: Base-Base interactions energy: -6.580 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.018 local terms energy: -24.895399 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -31.931183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.931183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.931183 (E_RNA) where: Base-Base interactions energy: -6.339 where: short stacking energy: -6.339 Base-Backbone interact. energy: -0.025 local terms energy: -25.566896 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -29.560852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.560852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.560852 (E_RNA) where: Base-Base interactions energy: -6.208 where: short stacking energy: -6.208 Base-Backbone interact. energy: -0.199 local terms energy: -23.153708 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -2.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -33.709043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709043 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.021 local terms energy: -25.817865 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -0.185 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: 5 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -28.404514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.404514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.404514 (E_RNA) where: Base-Base interactions energy: -3.618 where: short stacking energy: -3.618 Base-Backbone interact. energy: -0.280 local terms energy: -24.505943 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -1.628 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: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -35.624773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.624773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.624773 (E_RNA) where: Base-Base interactions energy: -7.947 where: short stacking energy: -7.947 Base-Backbone interact. energy: -0.008 local terms energy: -27.669744 where: bonds (distance) C4'-P energy: -5.707 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -3.035 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: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -41.659925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.659925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.659925 (E_RNA) where: Base-Base interactions energy: -14.879 where: short stacking energy: -14.879 Base-Backbone interact. energy: -0.000 local terms energy: -26.781062 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -41.123411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.123411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.123411 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.000 local terms energy: -29.173244 where: bonds (distance) C4'-P energy: -5.387 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.190 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -35.643715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.643715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.643715 (E_RNA) where: Base-Base interactions energy: -9.842 where: short stacking energy: -9.842 Base-Backbone interact. energy: -0.088 local terms energy: -25.713965 where: bonds (distance) C4'-P energy: -4.706 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -36.933863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933863 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.098 local terms energy: -25.337155 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: 0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -27.593110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.593110 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.008 local terms energy: -18.812751 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: 2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -40.429498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.429498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.429498 (E_RNA) where: Base-Base interactions energy: -12.556 where: short stacking energy: -12.556 Base-Backbone interact. energy: -0.001 local terms energy: -27.872413 where: bonds (distance) C4'-P energy: -5.226 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -4.790 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: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -27.702702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.702702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.702702 (E_RNA) where: Base-Base interactions energy: -6.590 where: short stacking energy: -6.590 Base-Backbone interact. energy: -0.234 local terms energy: -20.878968 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: 1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -28.035117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.035117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.035117 (E_RNA) where: Base-Base interactions energy: -7.604 where: short stacking energy: -7.604 Base-Backbone interact. energy: -0.001 local terms energy: -20.430199 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: 1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -31.326528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.326528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.326528 (E_RNA) where: Base-Base interactions energy: -6.102 where: short stacking energy: -6.102 Base-Backbone interact. energy: -0.001 local terms energy: -25.223397 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -5.985 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -4.589 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: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -40.439709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.439709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.439709 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -8.769 Base-Backbone interact. energy: -0.002 local terms energy: -31.668427 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -38.462164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.462164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.462164 (E_RNA) where: Base-Base interactions energy: -10.966 where: short stacking energy: -10.966 Base-Backbone interact. energy: -0.001 local terms energy: -27.495336 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -5.388 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -38.508010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.508010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.508010 (E_RNA) where: Base-Base interactions energy: -10.892 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.001 local terms energy: -27.615473 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -32.175423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.175423 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.076 local terms energy: -25.193827 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -29.468568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.468568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.468568 (E_RNA) where: Base-Base interactions energy: -6.503 where: short stacking energy: -6.503 Base-Backbone interact. energy: 0.839 local terms energy: -23.805179 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -0.782 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -35.647855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.647855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.647855 (E_RNA) where: Base-Base interactions energy: -8.482 where: short stacking energy: -8.482 Base-Backbone interact. energy: -0.027 local terms energy: -27.138956 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -1.265 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: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -30.263948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.263948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.263948 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.030 local terms energy: -23.222698 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -1.258 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -31.829103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.829103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.829103 (E_RNA) where: Base-Base interactions energy: -8.242 where: short stacking energy: -8.242 Base-Backbone interact. energy: -0.000 local terms energy: -23.587189 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -32.246618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.246618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.246618 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.002 local terms energy: -24.662820 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -2.544 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -29.765197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.765197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.765197 (E_RNA) where: Base-Base interactions energy: -7.764 where: short stacking energy: -7.764 Base-Backbone interact. energy: -0.001 local terms energy: -22.000705 where: bonds (distance) C4'-P energy: -4.187 bonds (distance) P-C4' energy: -4.475 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -1.517 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: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -37.003125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.003125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.003125 (E_RNA) where: Base-Base interactions energy: -10.695 where: short stacking energy: -10.695 Base-Backbone interact. energy: -0.012 local terms energy: -26.296063 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -39.621395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.621395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.621395 (E_RNA) where: Base-Base interactions energy: -11.634 where: short stacking energy: -11.634 Base-Backbone interact. energy: -0.000 local terms energy: -27.987132 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -30.584390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.584390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.584390 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.008 local terms energy: -20.995335 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: 0.098 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -37.584985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.584985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.584985 (E_RNA) where: Base-Base interactions energy: -12.768 where: short stacking energy: -12.768 Base-Backbone interact. energy: -0.000 local terms energy: -24.816762 where: bonds (distance) C4'-P energy: -3.721 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -0.823 tors. eta vs tors. theta energy: -5.536 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: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -34.612798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.612798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.612798 (E_RNA) where: Base-Base interactions energy: -10.835 where: short stacking energy: -10.835 Base-Backbone interact. energy: -0.000 local terms energy: -23.777390 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -30.224950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.224950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.224950 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.141 local terms energy: -21.764398 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -5.967 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -1.448 tors. eta vs tors. theta energy: -4.151 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: 7, replica: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -33.113752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.113752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.113752 (E_RNA) where: Base-Base interactions energy: -5.776 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.032 local terms energy: -27.305902 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -3.321 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: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -32.928066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.928066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.928066 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.024 local terms energy: -24.433503 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -29.383907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.383907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.383907 (E_RNA) where: Base-Base interactions energy: -8.174 where: short stacking energy: -8.174 Base-Backbone interact. energy: -0.021 local terms energy: -21.188721 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -4.714 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -29.362086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.362086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.362086 (E_RNA) where: Base-Base interactions energy: -7.045 where: short stacking energy: -7.045 Base-Backbone interact. energy: -0.016 local terms energy: -22.300739 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -4.746 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -38.785252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.785252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.785252 (E_RNA) where: Base-Base interactions energy: -11.527 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.019 local terms energy: -27.239138 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -35.735584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.735584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.735584 (E_RNA) where: Base-Base interactions energy: -12.161 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.038 local terms energy: -23.536545 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -2.120 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: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -33.674349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.674349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.674349 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.534 Base-Backbone interact. energy: -0.046 local terms energy: -23.094439 where: bonds (distance) C4'-P energy: -5.289 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.472 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -38.617134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617134 (E_RNA) where: Base-Base interactions energy: -10.856 where: short stacking energy: -10.856 Base-Backbone interact. energy: -0.080 local terms energy: -27.681793 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -2.819 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: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -33.105898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.105898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.105898 (E_RNA) where: Base-Base interactions energy: -7.647 where: short stacking energy: -7.647 Base-Backbone interact. energy: -0.012 local terms energy: -25.446974 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -0.376 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: 10 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -30.619160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.619160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.619160 (E_RNA) where: Base-Base interactions energy: -4.108 where: short stacking energy: -4.108 Base-Backbone interact. energy: -0.847 local terms energy: -25.663805 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -31.032654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.032654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.032654 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.116 local terms energy: -23.298835 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -30.163156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.163156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.163156 (E_RNA) where: Base-Base interactions energy: -5.947 where: short stacking energy: -5.947 Base-Backbone interact. energy: -0.716 local terms energy: -23.499881 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -31.762266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762266 (E_RNA) where: Base-Base interactions energy: -8.165 where: short stacking energy: -8.165 Base-Backbone interact. energy: -0.000 local terms energy: -23.596759 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -30.656633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.656633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.656633 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: -5.719 Base-Backbone interact. energy: -0.000 local terms energy: -24.937455 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -4.202 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -43.317306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317306 (E_RNA) where: Base-Base interactions energy: -14.009 where: short stacking energy: -14.009 Base-Backbone interact. energy: -0.011 local terms energy: -29.297076 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -41.584384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.584384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.584384 (E_RNA) where: Base-Base interactions energy: -13.541 where: short stacking energy: -13.541 Base-Backbone interact. energy: -0.000 local terms energy: -28.043491 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -5.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -36.726932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.726932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.726932 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.097 local terms energy: -27.184164 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -5.068 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: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -34.623551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.623551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.623551 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.025 local terms energy: -27.014778 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -33.348840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.348840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.348840 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.000 local terms energy: -25.856488 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -1.942 tors. eta vs tors. theta energy: -4.025 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: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -34.415305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.415305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.415305 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.066 local terms energy: -25.961537 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -3.756 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: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -36.735210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.735210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.735210 (E_RNA) where: Base-Base interactions energy: -11.040 where: short stacking energy: -11.040 Base-Backbone interact. energy: -0.000 local terms energy: -25.695044 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -4.354 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -2.010 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: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -27.016700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016700 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.099 local terms energy: -19.702318 where: bonds (distance) C4'-P energy: -4.068 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -3.706 tors. eta vs tors. theta energy: 1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -29.474162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.474162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.474162 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -6.626 Base-Backbone interact. energy: -0.076 local terms energy: -18.923140 where: bonds (distance) C4'-P energy: -2.213 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -33.001556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.001556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.001556 (E_RNA) where: Base-Base interactions energy: -9.745 where: short stacking energy: -9.745 Base-Backbone interact. energy: 0.616 local terms energy: -23.873483 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -0.884 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: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -37.037024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.037024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.037024 (E_RNA) where: Base-Base interactions energy: -8.891 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.005 local terms energy: -28.140912 where: bonds (distance) C4'-P energy: -6.754 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -38.400535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400535 (E_RNA) where: Base-Base interactions energy: -11.216 where: short stacking energy: -11.216 Base-Backbone interact. energy: -0.002 local terms energy: -27.182283 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -0.094 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: 354 Temperature: 1.000000 Total energy: -38.446873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.446873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.446873 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.027 local terms energy: -23.919547 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -35.866802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.866802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.866802 (E_RNA) where: Base-Base interactions energy: -11.635 where: short stacking energy: -11.250 Base-Backbone interact. energy: -0.000 local terms energy: -24.231499 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -2.976 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: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -39.457427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.457427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.457427 (E_RNA) where: Base-Base interactions energy: -14.126 where: short stacking energy: -14.126 Base-Backbone interact. energy: -0.000 local terms energy: -25.331060 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: 0.796 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -7.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -30.721719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721719 (E_RNA) where: Base-Base interactions energy: -9.212 where: short stacking energy: -8.796 Base-Backbone interact. energy: -0.009 local terms energy: -21.500728 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -1.644 tors. eta vs tors. theta energy: 0.137 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: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -31.957048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.957048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.957048 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.540 Base-Backbone interact. energy: -0.013 local terms energy: -23.404700 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -27.965276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.965276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.965276 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.006 local terms energy: -20.912262 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -2.810 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -0.240 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: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -28.940124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.940124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.940124 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.010 local terms energy: -21.394675 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: 3.144 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: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -27.890037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.890037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.890037 (E_RNA) where: Base-Base interactions energy: -5.433 where: short stacking energy: -5.433 Base-Backbone interact. energy: -0.005 local terms energy: -22.451731 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -0.708 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: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -43.650395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.650395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.650395 (E_RNA) where: Base-Base interactions energy: -13.107 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.000 local terms energy: -30.543523 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -5.330 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: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -34.609180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.609180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.609180 (E_RNA) where: Base-Base interactions energy: -8.636 where: short stacking energy: -8.636 Base-Backbone interact. energy: -0.006 local terms energy: -25.967334 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -34.093984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.093984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.093984 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.000 local terms energy: -22.809360 where: bonds (distance) C4'-P energy: -4.552 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -0.812 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: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -31.486479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.486479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.486479 (E_RNA) where: Base-Base interactions energy: -7.363 where: short stacking energy: -7.363 Base-Backbone interact. energy: -0.001 local terms energy: -24.122765 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -29.767636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.767636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.767636 (E_RNA) where: Base-Base interactions energy: -8.325 where: short stacking energy: -8.325 Base-Backbone interact. energy: -0.223 local terms energy: -21.219456 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -28.163505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.163505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.163505 (E_RNA) where: Base-Base interactions energy: -3.967 where: short stacking energy: -2.118 Base-Backbone interact. energy: -0.989 local terms energy: -23.207257 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.935 tors. eta vs tors. theta energy: 1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -33.319758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319758 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.082 local terms energy: -23.052055 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -1.330 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: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -30.385137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.385137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.385137 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.006 local terms energy: -22.619470 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -0.536 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: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -27.889237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.889237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.889237 (E_RNA) where: Base-Base interactions energy: -6.493 where: short stacking energy: -6.493 Base-Backbone interact. energy: -0.000 local terms energy: -21.395819 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -5.823 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -25.510353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.510353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.510353 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: -0.104 local terms energy: -19.117998 where: bonds (distance) C4'-P energy: -2.783 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -46.641504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.641504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.641504 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.000 local terms energy: -31.517786 where: bonds (distance) C4'-P energy: -6.489 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -4.901 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: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -32.563019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.563019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.563019 (E_RNA) where: Base-Base interactions energy: -6.979 where: short stacking energy: -6.979 Base-Backbone interact. energy: -0.078 local terms energy: -25.506528 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: 1.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -43.449640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.449640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.449640 (E_RNA) where: Base-Base interactions energy: -14.988 where: short stacking energy: -14.988 Base-Backbone interact. energy: -0.000 local terms energy: -28.462091 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -36.135390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.135390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.135390 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.075 local terms energy: -26.019801 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -27.920268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.920268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.920268 (E_RNA) where: Base-Base interactions energy: -4.125 where: short stacking energy: -4.125 Base-Backbone interact. energy: -0.001 local terms energy: -23.794192 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -33.127758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127758 (E_RNA) where: Base-Base interactions energy: -6.818 where: short stacking energy: -6.818 Base-Backbone interact. energy: -0.000 local terms energy: -26.309449 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -37.346515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.346515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.346515 (E_RNA) where: Base-Base interactions energy: -12.739 where: short stacking energy: -12.739 Base-Backbone interact. energy: -0.000 local terms energy: -24.607982 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -28.969722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.969722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.969722 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.001 local terms energy: -20.627174 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -30.179666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.179666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.179666 (E_RNA) where: Base-Base interactions energy: -9.263 where: short stacking energy: -6.688 Base-Backbone interact. energy: -0.095 local terms energy: -20.821549 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -2.493 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: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -28.622075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622075 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.058 local terms energy: -21.122647 where: bonds (distance) C4'-P energy: -5.607 bonds (distance) P-C4' energy: -5.630 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -1.921 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: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -33.399940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.399940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.399940 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -8.199 Base-Backbone interact. energy: -0.096 local terms energy: -25.105085 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -37.105388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.105388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.105388 (E_RNA) where: Base-Base interactions energy: -10.580 where: short stacking energy: -10.580 Base-Backbone interact. energy: -0.143 local terms energy: -26.382268 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.717 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: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -33.745218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745218 (E_RNA) where: Base-Base interactions energy: -9.833 where: short stacking energy: -9.833 Base-Backbone interact. energy: -0.047 local terms energy: -23.865004 where: bonds (distance) C4'-P energy: -5.483 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.744 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: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -32.974005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.974005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.974005 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.033 local terms energy: -23.046571 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.529 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -30.861109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.861109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.861109 (E_RNA) where: Base-Base interactions energy: -10.544 where: short stacking energy: -10.544 Base-Backbone interact. energy: -0.005 local terms energy: -20.312362 where: bonds (distance) C4'-P energy: -2.796 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -32.014711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.014711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.014711 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.006 local terms energy: -23.056354 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -1.978 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -30.873001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.873001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.873001 (E_RNA) where: Base-Base interactions energy: -9.539 where: short stacking energy: -9.539 Base-Backbone interact. energy: -0.098 local terms energy: -21.236172 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -4.481 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -29.666723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.666723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.666723 (E_RNA) where: Base-Base interactions energy: -5.653 where: short stacking energy: -5.653 Base-Backbone interact. energy: -0.077 local terms energy: -23.936241 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -29.243505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.243505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.243505 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.008 local terms energy: -21.947006 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -1.242 tors. eta vs tors. theta energy: -1.103 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: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -29.073099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.073099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.073099 (E_RNA) where: Base-Base interactions energy: -7.137 where: short stacking energy: -7.137 Base-Backbone interact. energy: -0.042 local terms energy: -21.894577 where: bonds (distance) C4'-P energy: -3.534 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -38.942773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.942773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.942773 (E_RNA) where: Base-Base interactions energy: -12.410 where: short stacking energy: -12.410 Base-Backbone interact. energy: -0.000 local terms energy: -26.532825 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -40.388606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.388606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.388606 (E_RNA) where: Base-Base interactions energy: -10.939 where: short stacking energy: -10.939 Base-Backbone interact. energy: -0.005 local terms energy: -29.444313 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -35.398016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.398016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.398016 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: -0.001 local terms energy: -25.814327 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.695 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: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -35.778314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.778314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.778314 (E_RNA) where: Base-Base interactions energy: -8.709 where: short stacking energy: -8.709 Base-Backbone interact. energy: -0.002 local terms energy: -27.067553 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -35.102838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.102838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.102838 (E_RNA) where: Base-Base interactions energy: -12.380 where: short stacking energy: -12.380 Base-Backbone interact. energy: -0.000 local terms energy: -22.722434 where: bonds (distance) C4'-P energy: -3.703 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -30.664196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.664196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.664196 (E_RNA) where: Base-Base interactions energy: -4.266 where: short stacking energy: -4.510 Base-Backbone interact. energy: -0.157 local terms energy: -26.241038 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -33.331750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.331750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.331750 (E_RNA) where: Base-Base interactions energy: -11.146 where: short stacking energy: -11.146 Base-Backbone interact. energy: -0.120 local terms energy: -22.065362 where: bonds (distance) C4'-P energy: -5.442 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -34.074322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.074322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.074322 (E_RNA) where: Base-Base interactions energy: -9.516 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.012 local terms energy: -24.546148 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -5.293 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: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -30.666314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.666314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.666314 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.107 local terms energy: -24.998095 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.491 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -25.140635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.140635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.140635 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: -6.082 Base-Backbone interact. energy: -0.203 local terms energy: -18.301845 where: bonds (distance) C4'-P energy: -3.915 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -35.387442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.387442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.387442 (E_RNA) where: Base-Base interactions energy: -7.087 where: short stacking energy: -7.087 Base-Backbone interact. energy: -1.054 local terms energy: -27.247201 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.639 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: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -41.309071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.309071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.309071 (E_RNA) where: Base-Base interactions energy: -16.345 where: short stacking energy: -16.345 Base-Backbone interact. energy: -0.000 local terms energy: -24.963647 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -33.792201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.792201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.792201 (E_RNA) where: Base-Base interactions energy: -7.736 where: short stacking energy: -7.736 Base-Backbone interact. energy: -0.007 local terms energy: -26.048523 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -1.352 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: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -35.671629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671629 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.055 Base-Backbone interact. energy: -0.147 local terms energy: -26.469140 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -2.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -31.294871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.294871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.294871 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.002 local terms energy: -24.077268 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -2.666 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: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -29.949449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.949449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.949449 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.207 local terms energy: -22.054951 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: 1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -34.230401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.230401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.230401 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.000 local terms energy: -22.015971 where: bonds (distance) C4'-P energy: -3.736 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -2.312 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: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -32.082914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.082914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.082914 (E_RNA) where: Base-Base interactions energy: -9.686 where: short stacking energy: -9.686 Base-Backbone interact. energy: -0.111 local terms energy: -22.286423 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -1.613 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -32.781796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.781796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.781796 (E_RNA) where: Base-Base interactions energy: -6.667 where: short stacking energy: -6.667 Base-Backbone interact. energy: -0.060 local terms energy: -26.055187 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -29.936299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.936299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.936299 (E_RNA) where: Base-Base interactions energy: -7.159 where: short stacking energy: -7.159 Base-Backbone interact. energy: -0.058 local terms energy: -22.719098 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: 0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -43.746942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.746942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.746942 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.000 local terms energy: -30.574956 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -42.003224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003224 (E_RNA) where: Base-Base interactions energy: -10.823 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.005 local terms energy: -31.175227 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -5.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -39.829610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.829610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.829610 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.050 local terms energy: -26.621483 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -34.963285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963285 (E_RNA) where: Base-Base interactions energy: -5.990 where: short stacking energy: -5.990 Base-Backbone interact. energy: -0.000 local terms energy: -28.973353 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -4.037 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -33.473247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.473247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.473247 (E_RNA) where: Base-Base interactions energy: -11.130 where: short stacking energy: -11.130 Base-Backbone interact. energy: -0.003 local terms energy: -22.340261 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -34.634189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634189 (E_RNA) where: Base-Base interactions energy: -9.816 where: short stacking energy: -9.816 Base-Backbone interact. energy: -0.003 local terms energy: -24.814948 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -28.251086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251086 (E_RNA) where: Base-Base interactions energy: -5.303 where: short stacking energy: -5.303 Base-Backbone interact. energy: -0.235 local terms energy: -22.712202 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -33.141927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.141927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.141927 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -11.066 Base-Backbone interact. energy: -0.000 local terms energy: -22.075387 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -29.617329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.617329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.617329 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -22.115015 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -33.934797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.934797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.934797 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -7.216 Base-Backbone interact. energy: -0.048 local terms energy: -24.963571 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -3.268 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -37.948681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.948681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.948681 (E_RNA) where: Base-Base interactions energy: -10.104 where: short stacking energy: -10.104 Base-Backbone interact. energy: -0.002 local terms energy: -27.841963 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -37.217223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.217223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.217223 (E_RNA) where: Base-Base interactions energy: -13.702 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.046 local terms energy: -23.469905 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -36.630231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.630231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.630231 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.000 local terms energy: -25.397366 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -35.486782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.486782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.486782 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.129 local terms energy: -24.605958 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -34.713984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.713984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.713984 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -11.905 Base-Backbone interact. energy: -0.000 local terms energy: -22.809226 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -28.805436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.805436 (E_RNA) where: Base-Base interactions energy: -7.310 where: short stacking energy: -7.310 Base-Backbone interact. energy: -0.037 local terms energy: -21.458270 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -1.040 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -33.042453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.042453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.042453 (E_RNA) where: Base-Base interactions energy: -9.058 where: short stacking energy: -9.058 Base-Backbone interact. energy: -0.000 local terms energy: -23.984031 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -30.946774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.946774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.946774 (E_RNA) where: Base-Base interactions energy: -8.315 where: short stacking energy: -8.315 Base-Backbone interact. energy: -0.117 local terms energy: -22.515262 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.842 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -26.304070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.304070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.304070 (E_RNA) where: Base-Base interactions energy: -3.996 where: short stacking energy: -3.996 Base-Backbone interact. energy: -0.000 local terms energy: -22.307426 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -2.522 tors. eta vs tors. theta energy: -2.515 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: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -26.243603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.243603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.243603 (E_RNA) where: Base-Base interactions energy: -5.798 where: short stacking energy: -3.091 Base-Backbone interact. energy: -0.002 local terms energy: -20.444240 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: 1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -38.530809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.530809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.530809 (E_RNA) where: Base-Base interactions energy: -7.816 where: short stacking energy: -7.816 Base-Backbone interact. energy: -0.000 local terms energy: -30.714992 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -33.430771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.430771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.430771 (E_RNA) where: Base-Base interactions energy: -7.998 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.865 local terms energy: -24.567666 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: 0.216 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: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -36.712902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.712902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.712902 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.043 local terms energy: -24.186876 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -36.983426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983426 (E_RNA) where: Base-Base interactions energy: -9.851 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.002 local terms energy: -27.131060 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -32.017784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.017784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.017784 (E_RNA) where: Base-Base interactions energy: -12.077 where: short stacking energy: -12.077 Base-Backbone interact. energy: -0.379 local terms energy: -19.561966 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.357 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -1.115 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: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -37.244051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.244051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.244051 (E_RNA) where: Base-Base interactions energy: -11.950 where: short stacking energy: -11.950 Base-Backbone interact. energy: -0.001 local terms energy: -25.293298 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -33.539902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.539902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.539902 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.100 local terms energy: -24.296171 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -28.607724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.607724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.607724 (E_RNA) where: Base-Base interactions energy: -4.223 where: short stacking energy: -4.223 Base-Backbone interact. energy: -0.000 local terms energy: -24.384272 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -30.711427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.711427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.711427 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.008 local terms energy: -22.841312 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -32.635415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.635415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.635415 (E_RNA) where: Base-Base interactions energy: -11.110 where: short stacking energy: -11.110 Base-Backbone interact. energy: -0.002 local terms energy: -21.523172 where: bonds (distance) C4'-P energy: -5.015 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -3.960 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: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -37.957885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.957885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.957885 (E_RNA) where: Base-Base interactions energy: -10.027 where: short stacking energy: -10.027 Base-Backbone interact. energy: -0.000 local terms energy: -27.931076 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.323 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -2.254 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: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -38.899857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.899857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.899857 (E_RNA) where: Base-Base interactions energy: -14.930 where: short stacking energy: -14.930 Base-Backbone interact. energy: -0.000 local terms energy: -23.969854 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -33.444800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.444800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.444800 (E_RNA) where: Base-Base interactions energy: -6.595 where: short stacking energy: -6.595 Base-Backbone interact. energy: -0.008 local terms energy: -26.841843 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -37.014124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.014124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.014124 (E_RNA) where: Base-Base interactions energy: -9.494 where: short stacking energy: -9.494 Base-Backbone interact. energy: -0.000 local terms energy: -27.519645 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -30.345815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.345815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.345815 (E_RNA) where: Base-Base interactions energy: -7.308 where: short stacking energy: -7.308 Base-Backbone interact. energy: -0.021 local terms energy: -23.017087 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -32.663968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.663968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.663968 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.957 local terms energy: -23.436672 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -0.807 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: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -39.331146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.331146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.331146 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.000 local terms energy: -29.612497 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -29.517716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.517716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.517716 (E_RNA) where: Base-Base interactions energy: -6.275 where: short stacking energy: -6.275 Base-Backbone interact. energy: -0.014 local terms energy: -23.228669 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.718 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -26.537201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.537201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.537201 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.087 local terms energy: -18.687841 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: 1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -29.605744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.605744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.605744 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.004 local terms energy: -21.751868 where: bonds (distance) C4'-P energy: -3.711 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -36.559752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.559752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.559752 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.000 local terms energy: -25.512157 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -0.958 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: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -43.156438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.156438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.156438 (E_RNA) where: Base-Base interactions energy: -13.328 where: short stacking energy: -11.135 Base-Backbone interact. energy: -0.072 local terms energy: -29.756408 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -2.265 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: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -36.953860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.953860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.953860 (E_RNA) where: Base-Base interactions energy: -9.465 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.001 local terms energy: -27.487929 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -3.391 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: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -34.402186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.402186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.402186 (E_RNA) where: Base-Base interactions energy: -10.483 where: short stacking energy: -10.483 Base-Backbone interact. energy: -0.000 local terms energy: -23.919094 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -2.556 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -32.265474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.265474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.265474 (E_RNA) where: Base-Base interactions energy: -5.204 where: short stacking energy: -4.507 Base-Backbone interact. energy: -0.166 local terms energy: -26.895266 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -3.234 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: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -31.500633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.500633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.500633 (E_RNA) where: Base-Base interactions energy: -7.179 where: short stacking energy: -7.222 Base-Backbone interact. energy: -0.004 local terms energy: -24.317632 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: 0.137 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: 364 Temperature: 1.200000 Total energy: -28.568826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.568826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.568826 (E_RNA) where: Base-Base interactions energy: -6.652 where: short stacking energy: -6.652 Base-Backbone interact. energy: -0.090 local terms energy: -21.827303 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -0.706 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: 364 Temperature: 1.250000 Total energy: -31.924492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.924492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.924492 (E_RNA) where: Base-Base interactions energy: -6.814 where: short stacking energy: -6.814 Base-Backbone interact. energy: -0.020 local terms energy: -25.090069 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -2.025 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: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -30.630516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.630516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.630516 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.003 local terms energy: -23.831490 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -31.401592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.401592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.401592 (E_RNA) where: Base-Base interactions energy: -6.713 where: short stacking energy: -6.713 Base-Backbone interact. energy: -0.074 local terms energy: -24.614366 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -2.982 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: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -35.973135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.973135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.973135 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -7.197 Base-Backbone interact. energy: -0.008 local terms energy: -28.767811 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -40.156033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.156033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.156033 (E_RNA) where: Base-Base interactions energy: -13.694 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.000 local terms energy: -26.461275 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -1.142 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: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -32.967378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.967378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.967378 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.002 local terms energy: -25.143182 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -36.517661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.517661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.517661 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.057 local terms energy: -25.128000 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -31.903181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.903181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.903181 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.182 local terms energy: -24.462225 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: 0.974 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: 365 Temperature: 1.150000 Total energy: -31.875091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.875091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.875091 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.035 local terms energy: -24.544038 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -29.876362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876362 (E_RNA) where: Base-Base interactions energy: -5.972 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.001 local terms energy: -23.903542 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: 0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -29.321519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.321519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.321519 (E_RNA) where: Base-Base interactions energy: -3.881 where: short stacking energy: -3.881 Base-Backbone interact. energy: -0.000 local terms energy: -25.439841 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -1.284 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: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -27.565881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.565881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.565881 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: -0.014 local terms energy: -19.543532 where: bonds (distance) C4'-P energy: -2.701 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -29.804943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.804943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.804943 (E_RNA) where: Base-Base interactions energy: -8.735 where: short stacking energy: -8.735 Base-Backbone interact. energy: -0.000 local terms energy: -21.069884 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -2.248 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -39.497697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.497697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.497697 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.001 local terms energy: -27.390262 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -35.678967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.678967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.678967 (E_RNA) where: Base-Base interactions energy: -10.870 where: short stacking energy: -10.870 Base-Backbone interact. energy: -0.065 local terms energy: -24.744528 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.771 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -36.431555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.431555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.431555 (E_RNA) where: Base-Base interactions energy: -11.182 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.001 local terms energy: -25.248890 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.844 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: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -34.978566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978566 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.000 local terms energy: -26.698319 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -33.073547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.073547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.073547 (E_RNA) where: Base-Base interactions energy: -7.386 where: short stacking energy: -7.386 Base-Backbone interact. energy: -0.005 local terms energy: -25.682543 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -30.373253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.373253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.373253 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: -6.178 Base-Backbone interact. energy: -0.220 local terms energy: -23.974908 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -29.895569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.895569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.895569 (E_RNA) where: Base-Base interactions energy: -3.004 where: short stacking energy: -3.004 Base-Backbone interact. energy: -0.016 local terms energy: -26.874947 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -33.294314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.294314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.294314 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.001 local terms energy: -24.681370 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.855 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -3.892 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: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -30.393800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.393800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.393800 (E_RNA) where: Base-Base interactions energy: -3.690 where: short stacking energy: -2.248 Base-Backbone interact. energy: -0.127 local terms energy: -26.576799 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -31.338988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338988 (E_RNA) where: Base-Base interactions energy: -7.051 where: short stacking energy: -7.051 Base-Backbone interact. energy: -0.048 local terms energy: -24.240282 where: bonds (distance) C4'-P energy: -4.855 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -3.170 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: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -33.794241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794241 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.046 local terms energy: -26.763349 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -38.019188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.019188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.019188 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.000 local terms energy: -26.665187 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -5.063 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -3.095 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -40.803356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803356 (E_RNA) where: Base-Base interactions energy: -13.130 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.000 local terms energy: -27.673086 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.286 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -33.328232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.328232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.328232 (E_RNA) where: Base-Base interactions energy: -7.730 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.021 local terms energy: -25.577042 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -36.704126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.704126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.704126 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.013 local terms energy: -26.053881 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -2.306 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: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -35.481870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.481870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.481870 (E_RNA) where: Base-Base interactions energy: -10.211 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.005 local terms energy: -25.266098 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -31.684524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.684524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.684524 (E_RNA) where: Base-Base interactions energy: -7.674 where: short stacking energy: -7.674 Base-Backbone interact. energy: -0.272 local terms energy: -23.738707 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -27.391268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.391268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.391268 (E_RNA) where: Base-Base interactions energy: -6.283 where: short stacking energy: -6.283 Base-Backbone interact. energy: -0.002 local terms energy: -21.106667 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: 1.131 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -5.006 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: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -28.104712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.104712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.104712 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.046 local terms energy: -19.224200 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -4.498 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: 2.403 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: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -30.793482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.793482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.793482 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -1.070 local terms energy: -23.351649 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -43.698283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.698283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.698283 (E_RNA) where: Base-Base interactions energy: -15.432 where: short stacking energy: -15.432 Base-Backbone interact. energy: -0.000 local terms energy: -28.266534 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -34.258976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.258976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.258976 (E_RNA) where: Base-Base interactions energy: -13.645 where: short stacking energy: -13.645 Base-Backbone interact. energy: 0.553 local terms energy: -21.166680 where: bonds (distance) C4'-P energy: -2.658 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -36.173355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.173355 (E_RNA) where: Base-Base interactions energy: -12.917 where: short stacking energy: -12.917 Base-Backbone interact. energy: -0.054 local terms energy: -23.201651 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.603 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: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -35.393184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.393184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.393184 (E_RNA) where: Base-Base interactions energy: -7.882 where: short stacking energy: -7.882 Base-Backbone interact. energy: -0.659 local terms energy: -26.851953 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -32.226983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.226983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.226983 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.014 local terms energy: -22.624721 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -37.217574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.217574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.217574 (E_RNA) where: Base-Base interactions energy: -11.686 where: short stacking energy: -11.686 Base-Backbone interact. energy: -0.009 local terms energy: -25.522963 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -2.773 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: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -33.171210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.171210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.171210 (E_RNA) where: Base-Base interactions energy: -6.368 where: short stacking energy: -6.368 Base-Backbone interact. energy: -0.001 local terms energy: -26.803063 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -29.718975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.718975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.718975 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.074 local terms energy: -22.308532 where: bonds (distance) C4'-P energy: -3.877 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -29.613655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.613655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.613655 (E_RNA) where: Base-Base interactions energy: -6.564 where: short stacking energy: -6.564 Base-Backbone interact. energy: -0.000 local terms energy: -23.049151 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -30.289831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.289831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.289831 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -6.970 Base-Backbone interact. energy: -0.003 local terms energy: -23.316727 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -5.527 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: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -34.367859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.367859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.367859 (E_RNA) where: Base-Base interactions energy: -9.550 where: short stacking energy: -9.550 Base-Backbone interact. energy: -0.097 local terms energy: -24.720723 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: -2.946 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: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -41.090069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.090069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.090069 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -13.987 Base-Backbone interact. energy: -0.867 local terms energy: -26.236311 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -1.931 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: 369 Temperature: 1.000000 Total energy: -40.656931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.656931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.656931 (E_RNA) where: Base-Base interactions energy: -12.987 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.001 local terms energy: -27.669459 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -1.848 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -33.315170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.315170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.315170 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.081 local terms energy: -22.236739 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -31.577488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.577488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.577488 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.024 local terms energy: -24.564036 where: bonds (distance) C4'-P energy: -5.649 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -1.240 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: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -32.418127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.418127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.418127 (E_RNA) where: Base-Base interactions energy: -9.560 where: short stacking energy: -6.254 Base-Backbone interact. energy: -0.115 local terms energy: -22.744034 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -0.810 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: 7, replica: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -38.587851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.587851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.587851 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.044 local terms energy: -24.657194 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -2.695 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -27.879862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.879862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.879862 (E_RNA) where: Base-Base interactions energy: -3.662 where: short stacking energy: -3.662 Base-Backbone interact. energy: -0.580 local terms energy: -23.637823 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -0.956 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: 9, replica: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -31.904317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904317 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.004 local terms energy: -24.474321 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -4.897 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -27.847356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.847356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.847356 (E_RNA) where: Base-Base interactions energy: -6.463 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.037 local terms energy: -21.347331 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -3.483 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: 0.362 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: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -42.397862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.397862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.397862 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.000 local terms energy: -31.456053 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.660 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -7.536 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: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -38.769414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769414 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.006 local terms energy: -26.460243 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -2.181 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: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -34.391923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.391923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.391923 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.040 local terms energy: -25.364084 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -33.310817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.310817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.310817 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.061 local terms energy: -24.270931 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -2.112 tors. eta vs tors. theta energy: -3.766 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: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -34.403656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403656 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.000 local terms energy: -22.482114 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -30.286046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.286046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.286046 (E_RNA) where: Base-Base interactions energy: -10.515 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.015 local terms energy: -19.755777 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -3.632 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: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -31.602283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.602283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.602283 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.021 local terms energy: -23.583007 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -1.101 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: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -32.834962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.834962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.834962 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.002 local terms energy: -22.598995 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -32.504423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.504423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.504423 (E_RNA) where: Base-Base interactions energy: -6.525 where: short stacking energy: -6.525 Base-Backbone interact. energy: -0.000 local terms energy: -25.979391 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -1.930 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: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -30.420890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.420890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.420890 (E_RNA) where: Base-Base interactions energy: -8.131 where: short stacking energy: -8.131 Base-Backbone interact. energy: -0.257 local terms energy: -22.032488 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -4.529 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -43.238539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.238539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.238539 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -11.173 Base-Backbone interact. energy: -0.894 local terms energy: -30.327557 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -3.843 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: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -32.701810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701810 (E_RNA) where: Base-Base interactions energy: -11.709 where: short stacking energy: -11.709 Base-Backbone interact. energy: -0.030 local terms energy: -20.963086 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.815 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: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -36.804426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.804426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.804426 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.058 local terms energy: -25.396094 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -37.456547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.456547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.456547 (E_RNA) where: Base-Base interactions energy: -10.996 where: short stacking energy: -10.996 Base-Backbone interact. energy: -0.000 local terms energy: -26.460511 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -2.039 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: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -31.223409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.223409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.223409 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.046 local terms energy: -23.621304 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -33.228010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.228010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.228010 (E_RNA) where: Base-Base interactions energy: -5.283 where: short stacking energy: -5.283 Base-Backbone interact. energy: -0.095 local terms energy: -27.850055 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -2.711 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: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -31.393675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.393675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.393675 (E_RNA) where: Base-Base interactions energy: -6.382 where: short stacking energy: -6.382 Base-Backbone interact. energy: -0.055 local terms energy: -24.956332 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -30.299870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.299870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.299870 (E_RNA) where: Base-Base interactions energy: -7.244 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.002 local terms energy: -23.053748 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -1.185 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: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -31.153963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.153963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.153963 (E_RNA) where: Base-Base interactions energy: -8.881 where: short stacking energy: -8.881 Base-Backbone interact. energy: -0.725 local terms energy: -21.547996 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.081 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: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -28.529276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.529276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.529276 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.069 local terms energy: -20.003529 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -1.056 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: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -39.213981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.213981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.213981 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.001 local terms energy: -27.004625 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -41.005085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.005085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.005085 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -16.707 Base-Backbone interact. energy: -0.002 local terms energy: -24.296523 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -2.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -37.166534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.166534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.166534 (E_RNA) where: Base-Base interactions energy: -11.307 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.084 local terms energy: -25.775639 where: bonds (distance) C4'-P energy: -4.896 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -4.523 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: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -33.197750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.197750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.197750 (E_RNA) where: Base-Base interactions energy: -9.213 where: short stacking energy: -9.213 Base-Backbone interact. energy: -0.000 local terms energy: -23.984886 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -34.304119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.304119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.304119 (E_RNA) where: Base-Base interactions energy: -11.303 where: short stacking energy: -11.303 Base-Backbone interact. energy: -0.000 local terms energy: -23.001501 where: bonds (distance) C4'-P energy: -4.895 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -2.046 tors. eta vs tors. theta energy: -3.677 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: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -29.803546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.803546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.803546 (E_RNA) where: Base-Base interactions energy: -3.740 where: short stacking energy: -3.740 Base-Backbone interact. energy: -0.188 local terms energy: -25.875677 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -31.423031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423031 (E_RNA) where: Base-Base interactions energy: -6.116 where: short stacking energy: -7.216 Base-Backbone interact. energy: -1.515 local terms energy: -23.792372 where: bonds (distance) C4'-P energy: -5.876 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.358 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: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -29.835174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.835174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.835174 (E_RNA) where: Base-Base interactions energy: -6.006 where: short stacking energy: -3.933 Base-Backbone interact. energy: -0.046 local terms energy: -23.783140 where: bonds (distance) C4'-P energy: -5.479 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -31.667155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.667155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.667155 (E_RNA) where: Base-Base interactions energy: -8.552 where: short stacking energy: -5.046 Base-Backbone interact. energy: -0.000 local terms energy: -23.115039 where: bonds (distance) C4'-P energy: -4.870 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -27.244331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.244331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.244331 (E_RNA) where: Base-Base interactions energy: -6.903 where: short stacking energy: -6.903 Base-Backbone interact. energy: -0.031 local terms energy: -20.310367 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -0.568 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: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -40.634244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.634244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.634244 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.109 local terms energy: -25.546870 where: bonds (distance) C4'-P energy: -4.978 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -1.289 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: 373 Temperature: 0.950000 Total energy: -40.243532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243532 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.034 local terms energy: -28.061946 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -39.087140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.087140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.087140 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.000 local terms energy: -28.592049 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -35.025434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.025434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.025434 (E_RNA) where: Base-Base interactions energy: -8.580 where: short stacking energy: -8.580 Base-Backbone interact. energy: -0.000 local terms energy: -26.445208 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -31.766040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.766040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.766040 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.245 local terms energy: -24.226224 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -32.036096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.036096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.036096 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -3.948 Base-Backbone interact. energy: -0.143 local terms energy: -24.406412 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -31.098982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.098982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.098982 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.059 local terms energy: -22.543810 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -31.708998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.708998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.708998 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.000 local terms energy: -23.650013 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: -1.477 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: 373 Temperature: 1.300000 Total energy: -27.591321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.591321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.591321 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -6.148 Base-Backbone interact. energy: -0.151 local terms energy: -17.242141 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: 1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -27.612674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.612674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.612674 (E_RNA) where: Base-Base interactions energy: -4.232 where: short stacking energy: -4.232 Base-Backbone interact. energy: -0.117 local terms energy: -23.262759 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -43.380220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.380220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.380220 (E_RNA) where: Base-Base interactions energy: -13.836 where: short stacking energy: -13.836 Base-Backbone interact. energy: -0.097 local terms energy: -29.447135 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -40.576600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.576600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.576600 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -1.047 local terms energy: -28.012954 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.989 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: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -33.675185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.675185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.675185 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.011 local terms energy: -25.679758 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -0.258 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: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -38.038418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.038418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.038418 (E_RNA) where: Base-Base interactions energy: -13.988 where: short stacking energy: -13.988 Base-Backbone interact. energy: -0.000 local terms energy: -24.050178 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -3.902 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: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -31.627508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.627508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.627508 (E_RNA) where: Base-Base interactions energy: -11.085 where: short stacking energy: -11.085 Base-Backbone interact. energy: -0.042 local terms energy: -20.500407 where: bonds (distance) C4'-P energy: -3.728 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: -1.220 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: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -31.715694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.715694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.715694 (E_RNA) where: Base-Base interactions energy: -6.732 where: short stacking energy: -5.348 Base-Backbone interact. energy: -0.001 local terms energy: -24.983567 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: 0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -35.003301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.003301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.003301 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.000 local terms energy: -24.460052 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -31.361092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.361092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.361092 (E_RNA) where: Base-Base interactions energy: -8.220 where: short stacking energy: -8.220 Base-Backbone interact. energy: -0.001 local terms energy: -23.139575 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -29.525385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.525385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.525385 (E_RNA) where: Base-Base interactions energy: -5.360 where: short stacking energy: -5.360 Base-Backbone interact. energy: -0.000 local terms energy: -24.165406 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -4.257 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: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -26.458048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.458048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.458048 (E_RNA) where: Base-Base interactions energy: -6.419 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.112 local terms energy: -19.926800 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.607 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: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -39.863429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.863429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.863429 (E_RNA) where: Base-Base interactions energy: -10.224 where: short stacking energy: -10.224 Base-Backbone interact. energy: -0.034 local terms energy: -29.605740 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -40.663937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.663937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.663937 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.000 local terms energy: -30.106705 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -5.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -40.113067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.113067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.113067 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.101 local terms energy: -24.887920 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -2.909 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -36.434944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.434944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.434944 (E_RNA) where: Base-Base interactions energy: -11.657 where: short stacking energy: -11.657 Base-Backbone interact. energy: -0.029 local terms energy: -24.748234 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -0.788 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: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -29.269942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.269942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.269942 (E_RNA) where: Base-Base interactions energy: -6.406 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.413 local terms energy: -22.450952 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -30.550537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.550537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.550537 (E_RNA) where: Base-Base interactions energy: -8.773 where: short stacking energy: -8.773 Base-Backbone interact. energy: -0.070 local terms energy: -21.708203 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -2.854 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: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -31.845571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.845571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.845571 (E_RNA) where: Base-Base interactions energy: -4.807 where: short stacking energy: -4.807 Base-Backbone interact. energy: -0.000 local terms energy: -27.038731 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.310 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: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -32.215546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.215546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.215546 (E_RNA) where: Base-Base interactions energy: -12.128 where: short stacking energy: -12.128 Base-Backbone interact. energy: -0.000 local terms energy: -20.086973 where: bonds (distance) C4'-P energy: -3.471 bonds (distance) P-C4' energy: -4.351 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -29.485610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.485610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.485610 (E_RNA) where: Base-Base interactions energy: -6.552 where: short stacking energy: -6.552 Base-Backbone interact. energy: -0.089 local terms energy: -22.844598 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -4.079 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.109 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -30.135095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.135095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.135095 (E_RNA) where: Base-Base interactions energy: -10.964 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.002 local terms energy: -19.169222 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -0.461 tors. eta vs tors. theta energy: -1.967 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: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -33.338605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.338605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.338605 (E_RNA) where: Base-Base interactions energy: -9.178 where: short stacking energy: -9.178 Base-Backbone interact. energy: 0.387 local terms energy: -24.547765 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -1.387 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: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -35.222741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.222741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.222741 (E_RNA) where: Base-Base interactions energy: -8.500 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.403 local terms energy: -26.319212 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -0.903 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: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -34.367313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.367313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.367313 (E_RNA) where: Base-Base interactions energy: -8.535 where: short stacking energy: -8.535 Base-Backbone interact. energy: -0.005 local terms energy: -25.826821 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -33.619971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.619971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.619971 (E_RNA) where: Base-Base interactions energy: -9.594 where: short stacking energy: -9.594 Base-Backbone interact. energy: 0.301 local terms energy: -24.326094 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -4.058 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: 5, replica: 6 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -32.774839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.774839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.774839 (E_RNA) where: Base-Base interactions energy: -6.785 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.079 local terms energy: -25.911051 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -3.080 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: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -32.142817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142817 (E_RNA) where: Base-Base interactions energy: -5.805 where: short stacking energy: -5.805 Base-Backbone interact. energy: -0.006 local terms energy: -26.332666 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -2.064 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: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -31.826986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.826986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.826986 (E_RNA) where: Base-Base interactions energy: -7.542 where: short stacking energy: -7.542 Base-Backbone interact. energy: -0.001 local terms energy: -24.283325 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -29.430991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.430991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.430991 (E_RNA) where: Base-Base interactions energy: -6.020 where: short stacking energy: -6.020 Base-Backbone interact. energy: 0.188 local terms energy: -23.599068 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -31.196380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.196380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.196380 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -6.408 Base-Backbone interact. energy: -0.014 local terms energy: -23.523611 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -4.369 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -29.214163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.214163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.214163 (E_RNA) where: Base-Base interactions energy: -5.599 where: short stacking energy: -4.304 Base-Backbone interact. energy: -0.077 local terms energy: -23.538758 where: bonds (distance) C4'-P energy: -4.650 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -43.604068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.604068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.604068 (E_RNA) where: Base-Base interactions energy: -15.575 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.005 local terms energy: -28.024138 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -5.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -36.116676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.116676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.116676 (E_RNA) where: Base-Base interactions energy: -10.745 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.128 local terms energy: -25.243706 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -3.249 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: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -34.253075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.253075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.253075 (E_RNA) where: Base-Base interactions energy: -7.375 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.000 local terms energy: -26.877868 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -3.272 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: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -38.805326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.805326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.805326 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.089 local terms energy: -25.804229 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -35.371854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.371854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.371854 (E_RNA) where: Base-Base interactions energy: -12.028 where: short stacking energy: -12.028 Base-Backbone interact. energy: -0.002 local terms energy: -23.342432 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -39.414143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.414143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.414143 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.000 local terms energy: -27.489458 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -3.655 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: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -29.528041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528041 (E_RNA) where: Base-Base interactions energy: -6.596 where: short stacking energy: -5.722 Base-Backbone interact. energy: -0.034 local terms energy: -22.898208 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: 0.876 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: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -34.986118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.986118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.986118 (E_RNA) where: Base-Base interactions energy: -8.008 where: short stacking energy: -8.008 Base-Backbone interact. energy: -0.001 local terms energy: -26.977607 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -3.881 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: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -27.032429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.032429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.032429 (E_RNA) where: Base-Base interactions energy: -7.137 where: short stacking energy: -7.137 Base-Backbone interact. energy: -0.000 local terms energy: -19.895394 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -3.070 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: 0.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -31.121229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.121229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.121229 (E_RNA) where: Base-Base interactions energy: -11.619 where: short stacking energy: -11.619 Base-Backbone interact. energy: -0.091 local terms energy: -19.411188 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -1.113 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -35.289886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.289886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.289886 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -10.378 Base-Backbone interact. energy: -0.129 local terms energy: -24.637956 where: bonds (distance) C4'-P energy: -4.982 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.577 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: 2, replica: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -38.714552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.714552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.714552 (E_RNA) where: Base-Base interactions energy: -10.826 where: short stacking energy: -10.826 Base-Backbone interact. energy: -0.050 local terms energy: -27.837987 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -4.091 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: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -37.500499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.500499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.500499 (E_RNA) where: Base-Base interactions energy: -11.547 where: short stacking energy: -11.547 Base-Backbone interact. energy: -0.095 local terms energy: -25.858812 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -37.561282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.561282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.561282 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.000 local terms energy: -26.549893 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.858 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -5.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -35.494240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.494240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.494240 (E_RNA) where: Base-Base interactions energy: -10.816 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.003 local terms energy: -24.674682 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -34.095754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.095754 (E_RNA) where: Base-Base interactions energy: -10.458 where: short stacking energy: -10.458 Base-Backbone interact. energy: -0.255 local terms energy: -23.381987 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -3.289 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: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -34.086339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.086339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.086339 (E_RNA) where: Base-Base interactions energy: -11.369 where: short stacking energy: -11.369 Base-Backbone interact. energy: -0.124 local terms energy: -22.593123 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -5.227 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -0.449 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: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -27.952422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.952422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.952422 (E_RNA) where: Base-Base interactions energy: -8.923 where: short stacking energy: -8.391 Base-Backbone interact. energy: -0.050 local terms energy: -18.980326 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -4.296 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: 1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -30.334990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334990 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.079 local terms energy: -19.917341 where: bonds (distance) C4'-P energy: -5.136 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -0.893 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -27.337330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.337330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.337330 (E_RNA) where: Base-Base interactions energy: -1.922 where: short stacking energy: -1.864 Base-Backbone interact. energy: -0.075 local terms energy: -25.340855 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -5.992 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -1.281 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: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -43.807263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.807263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.807263 (E_RNA) where: Base-Base interactions energy: -15.768 where: short stacking energy: -14.798 Base-Backbone interact. energy: -0.062 local terms energy: -27.977532 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -3.553 tors. eta vs tors. theta energy: -4.356 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: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -35.935344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.935344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.935344 (E_RNA) where: Base-Base interactions energy: -9.429 where: short stacking energy: -8.384 Base-Backbone interact. energy: -0.038 local terms energy: -26.467839 where: bonds (distance) C4'-P energy: -7.002 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -39.249059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.249059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.249059 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: -0.001 local terms energy: -25.171044 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -39.126869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.126869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.126869 (E_RNA) where: Base-Base interactions energy: -9.230 where: short stacking energy: -9.230 Base-Backbone interact. energy: -0.138 local terms energy: -29.758213 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -2.998 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: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -36.406389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406389 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.000 local terms energy: -23.421952 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -5.287 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -3.288 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: 379 Temperature: 1.150000 Total energy: -31.781637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.781637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.781637 (E_RNA) where: Base-Base interactions energy: -10.227 where: short stacking energy: -10.227 Base-Backbone interact. energy: -0.069 local terms energy: -21.485028 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -2.585 flat angles P-C4'-P energy: -5.192 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: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -31.470928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.470928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.470928 (E_RNA) where: Base-Base interactions energy: -12.420 where: short stacking energy: -12.420 Base-Backbone interact. energy: -0.123 local terms energy: -18.928219 where: bonds (distance) C4'-P energy: -4.395 bonds (distance) P-C4' energy: -3.181 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -2.218 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -31.717499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.717499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.717499 (E_RNA) where: Base-Base interactions energy: -6.899 where: short stacking energy: -6.899 Base-Backbone interact. energy: -0.041 local terms energy: -24.778183 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -33.424749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.424749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.424749 (E_RNA) where: Base-Base interactions energy: -7.086 where: short stacking energy: -7.086 Base-Backbone interact. energy: -0.005 local terms energy: -26.333936 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -3.369 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: 379 Temperature: 1.350000 Total energy: -31.847629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847629 (E_RNA) where: Base-Base interactions energy: -8.904 where: short stacking energy: -8.904 Base-Backbone interact. energy: -0.002 local terms energy: -22.941413 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -41.187736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.187736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.187736 (E_RNA) where: Base-Base interactions energy: -11.713 where: short stacking energy: -11.713 Base-Backbone interact. energy: -0.006 local terms energy: -29.469054 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -38.038026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.038026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.038026 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.362 Base-Backbone interact. energy: -0.001 local terms energy: -28.426045 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -36.992256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.992256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.992256 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.001 local terms energy: -23.475155 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -2.698 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: 4, replica: 9 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -37.277143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.277143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.277143 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.000 local terms energy: -25.233234 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -0.813 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -36.249494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.249494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.249494 (E_RNA) where: Base-Base interactions energy: -7.679 where: short stacking energy: -7.679 Base-Backbone interact. energy: -0.030 local terms energy: -28.540715 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -33.487248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.487248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.487248 (E_RNA) where: Base-Base interactions energy: -9.540 where: short stacking energy: -9.540 Base-Backbone interact. energy: -0.031 local terms energy: -23.915626 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.330 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: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -36.231488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.231488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.231488 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.000 local terms energy: -24.995885 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -0.944 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: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -30.944036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.944036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.944036 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -4.967 Base-Backbone interact. energy: -0.838 local terms energy: -21.892959 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: 0.895 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: 380 Temperature: 1.300000 Total energy: -30.334457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334457 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.000 local terms energy: -21.918379 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -29.721550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.721550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.721550 (E_RNA) where: Base-Base interactions energy: -5.943 where: short stacking energy: -6.315 Base-Backbone interact. energy: -0.025 local terms energy: -23.754074 where: bonds (distance) C4'-P energy: -4.258 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -3.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -37.679979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.679979 (E_RNA) where: Base-Base interactions energy: -9.121 where: short stacking energy: -9.121 Base-Backbone interact. energy: -0.000 local terms energy: -28.558600 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.050 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -2.521 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: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -44.890670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.890670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.890670 (E_RNA) where: Base-Base interactions energy: -15.095 where: short stacking energy: -15.095 Base-Backbone interact. energy: -0.000 local terms energy: -29.795512 where: bonds (distance) C4'-P energy: -4.705 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -5.620 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: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -36.983629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983629 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -25.374526 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -0.552 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: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -35.873450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.873450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.873450 (E_RNA) where: Base-Base interactions energy: -11.129 where: short stacking energy: -11.129 Base-Backbone interact. energy: -0.018 local terms energy: -24.727030 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -40.529324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.529324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.529324 (E_RNA) where: Base-Base interactions energy: -14.764 where: short stacking energy: -14.764 Base-Backbone interact. energy: -0.000 local terms energy: -25.765682 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -31.897092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.897092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.897092 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -1.005 local terms energy: -23.092241 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -31.587439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587439 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.071 local terms energy: -23.214316 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: 0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -30.108902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.108902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.108902 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.003 local terms energy: -19.302881 where: bonds (distance) C4'-P energy: -2.283 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -2.871 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: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -31.659336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.659336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.659336 (E_RNA) where: Base-Base interactions energy: -9.123 where: short stacking energy: -8.076 Base-Backbone interact. energy: 0.961 local terms energy: -23.497910 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -1.083 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -30.897198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.897198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.897198 (E_RNA) where: Base-Base interactions energy: -6.310 where: short stacking energy: -6.310 Base-Backbone interact. energy: -0.623 local terms energy: -23.964752 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -1.547 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: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -40.441804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.441804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.441804 (E_RNA) where: Base-Base interactions energy: -12.213 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.023 local terms energy: -28.205982 where: bonds (distance) C4'-P energy: -5.487 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -2.796 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -36.276767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.276767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.276767 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.001 local terms energy: -24.251676 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -31.890898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.890898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.890898 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -4.544 Base-Backbone interact. energy: 0.421 local terms energy: -23.251244 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: 1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -36.139461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.139461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.139461 (E_RNA) where: Base-Base interactions energy: -7.709 where: short stacking energy: -7.709 Base-Backbone interact. energy: -0.067 local terms energy: -28.363265 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -40.616670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.616670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.616670 (E_RNA) where: Base-Base interactions energy: -14.747 where: short stacking energy: -14.747 Base-Backbone interact. energy: -0.026 local terms energy: -25.843550 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -3.982 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -29.201210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.201210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.201210 (E_RNA) where: Base-Base interactions energy: -9.337 where: short stacking energy: -9.337 Base-Backbone interact. energy: -0.001 local terms energy: -19.862962 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -1.979 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: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -30.754312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.754312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.754312 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.015 local terms energy: -23.415136 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: 1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -27.755696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.755696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.755696 (E_RNA) where: Base-Base interactions energy: -8.046 where: short stacking energy: -8.046 Base-Backbone interact. energy: -0.077 local terms energy: -19.632825 where: bonds (distance) C4'-P energy: -3.356 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -0.261 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: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -27.895624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.895624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.895624 (E_RNA) where: Base-Base interactions energy: -3.239 where: short stacking energy: -3.239 Base-Backbone interact. energy: -0.009 local terms energy: -24.647778 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -25.233214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.233214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.233214 (E_RNA) where: Base-Base interactions energy: -4.841 where: short stacking energy: -3.535 Base-Backbone interact. energy: -0.010 local terms energy: -20.382787 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -0.346 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -42.414369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414369 (E_RNA) where: Base-Base interactions energy: -16.058 where: short stacking energy: -16.058 Base-Backbone interact. energy: -0.000 local terms energy: -26.356631 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -4.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -38.329052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.329052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.329052 (E_RNA) where: Base-Base interactions energy: -10.956 where: short stacking energy: -10.956 Base-Backbone interact. energy: -0.086 local terms energy: -27.286698 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -5.560 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: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -46.266930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.266930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.266930 (E_RNA) where: Base-Base interactions energy: -17.355 where: short stacking energy: -15.620 Base-Backbone interact. energy: -0.078 local terms energy: -28.833800 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -35.647092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.647092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.647092 (E_RNA) where: Base-Base interactions energy: -6.423 where: short stacking energy: -6.423 Base-Backbone interact. energy: -0.078 local terms energy: -29.146063 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -31.071349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.071349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.071349 (E_RNA) where: Base-Base interactions energy: -6.064 where: short stacking energy: -6.064 Base-Backbone interact. energy: -0.034 local terms energy: -24.972849 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -2.432 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: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -31.903923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.903923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.903923 (E_RNA) where: Base-Base interactions energy: -8.866 where: short stacking energy: -8.866 Base-Backbone interact. energy: -0.098 local terms energy: -22.939672 where: bonds (distance) C4'-P energy: -6.018 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: 1.001 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -37.426408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.426408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.426408 (E_RNA) where: Base-Base interactions energy: -11.196 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.000 local terms energy: -26.229823 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -4.965 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -26.931922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.931922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.931922 (E_RNA) where: Base-Base interactions energy: -5.388 where: short stacking energy: -5.388 Base-Backbone interact. energy: -0.105 local terms energy: -21.438141 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: 2.849 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: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -28.045328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.045328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.045328 (E_RNA) where: Base-Base interactions energy: -4.438 where: short stacking energy: -4.707 Base-Backbone interact. energy: -0.090 local terms energy: -23.517529 where: bonds (distance) C4'-P energy: -5.513 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -4.447 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: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -27.096625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.096625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.096625 (E_RNA) where: Base-Base interactions energy: -3.638 where: short stacking energy: -3.638 Base-Backbone interact. energy: -0.001 local terms energy: -23.457554 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -42.388846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.388846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.388846 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -15.623 Base-Backbone interact. energy: -0.000 local terms energy: -26.766031 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -5.584 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: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -37.442265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.442265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.442265 (E_RNA) where: Base-Base interactions energy: -10.769 where: short stacking energy: -10.769 Base-Backbone interact. energy: -0.010 local terms energy: -26.663147 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -35.404625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.404625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.404625 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.097 local terms energy: -23.405406 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -33.542340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542340 (E_RNA) where: Base-Base interactions energy: -11.246 where: short stacking energy: -11.246 Base-Backbone interact. energy: -0.097 local terms energy: -22.198961 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: 0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -33.572148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.572148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.572148 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.197 local terms energy: -24.594760 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -31.218053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.218053 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.014 local terms energy: -23.868522 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -37.091465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.091465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.091465 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -9.964 Base-Backbone interact. energy: -0.000 local terms energy: -27.127061 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.212 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: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -30.947556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.947556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.947556 (E_RNA) where: Base-Base interactions energy: -5.708 where: short stacking energy: -5.708 Base-Backbone interact. energy: -0.181 local terms energy: -25.057944 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -35.398675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.398675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.398675 (E_RNA) where: Base-Base interactions energy: -12.338 where: short stacking energy: -12.338 Base-Backbone interact. energy: -0.002 local terms energy: -23.058022 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -28.098659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.098659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.098659 (E_RNA) where: Base-Base interactions energy: -3.283 where: short stacking energy: -3.283 Base-Backbone interact. energy: -0.001 local terms energy: -24.814642 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -40.693116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.693116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.693116 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.002 local terms energy: -27.868016 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -34.441647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.441647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.441647 (E_RNA) where: Base-Base interactions energy: -7.353 where: short stacking energy: -7.353 Base-Backbone interact. energy: -0.028 local terms energy: -27.060734 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -39.414214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.414214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.414214 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -11.823 Base-Backbone interact. energy: -0.190 local terms energy: -27.402140 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -39.451732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.451732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.451732 (E_RNA) where: Base-Base interactions energy: -13.255 where: short stacking energy: -13.255 Base-Backbone interact. energy: -0.096 local terms energy: -26.101035 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -35.022129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022129 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.098 local terms energy: -27.339898 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -3.002 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: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -32.232752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.232752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.232752 (E_RNA) where: Base-Base interactions energy: -9.891 where: short stacking energy: -9.891 Base-Backbone interact. energy: -0.001 local terms energy: -22.340693 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -35.411044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.411044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.411044 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.022 local terms energy: -24.055795 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -28.265584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.265584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.265584 (E_RNA) where: Base-Base interactions energy: -4.069 where: short stacking energy: -4.069 Base-Backbone interact. energy: -0.157 local terms energy: -24.039535 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -28.157450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.157450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.157450 (E_RNA) where: Base-Base interactions energy: -3.971 where: short stacking energy: -3.971 Base-Backbone interact. energy: -0.379 local terms energy: -23.807934 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -0.109 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: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -30.874354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.874354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.874354 (E_RNA) where: Base-Base interactions energy: -5.842 where: short stacking energy: -6.708 Base-Backbone interact. energy: 0.186 local terms energy: -25.218934 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -4.255 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: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -40.502208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502208 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: -0.059 local terms energy: -29.706013 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -43.829350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.829350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.829350 (E_RNA) where: Base-Base interactions energy: -12.542 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.000 local terms energy: -31.286844 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -35.058388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.058388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.058388 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.104 local terms energy: -28.127213 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -4.799 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: 386 Temperature: 1.050000 Total energy: -33.611071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.611071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.611071 (E_RNA) where: Base-Base interactions energy: -7.205 where: short stacking energy: -7.205 Base-Backbone interact. energy: -0.004 local terms energy: -26.401934 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -35.259438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.259438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.259438 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.093 local terms energy: -27.556177 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -31.087688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.087688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.087688 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.103 local terms energy: -23.658825 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -0.661 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: 386 Temperature: 1.200000 Total energy: -33.345995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.345995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.345995 (E_RNA) where: Base-Base interactions energy: -6.458 where: short stacking energy: -6.458 Base-Backbone interact. energy: -0.192 local terms energy: -26.695930 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -33.821524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.821524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.821524 (E_RNA) where: Base-Base interactions energy: -9.641 where: short stacking energy: -9.641 Base-Backbone interact. energy: -0.000 local terms energy: -24.180014 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -29.143106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.143106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.143106 (E_RNA) where: Base-Base interactions energy: -4.976 where: short stacking energy: -4.976 Base-Backbone interact. energy: -0.001 local terms energy: -24.166619 where: bonds (distance) C4'-P energy: -4.791 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -30.459416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.459416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.459416 (E_RNA) where: Base-Base interactions energy: -6.627 where: short stacking energy: -6.627 Base-Backbone interact. energy: -0.000 local terms energy: -23.831692 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -34.119023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119023 (E_RNA) where: Base-Base interactions energy: -11.128 where: short stacking energy: -11.128 Base-Backbone interact. energy: 0.213 local terms energy: -23.204614 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -40.913378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.913378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.913378 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.001 local terms energy: -28.499352 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -38.118175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.118175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.118175 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.141 local terms energy: -29.986355 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -40.333682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.333682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.333682 (E_RNA) where: Base-Base interactions energy: -15.246 where: short stacking energy: -15.234 Base-Backbone interact. energy: -0.049 local terms energy: -25.038795 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -2.838 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: 387 Temperature: 1.100000 Total energy: -30.500856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.500856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.500856 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.098 local terms energy: -20.213920 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -4.959 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -33.702460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.702460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.702460 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.944 Base-Backbone interact. energy: -0.003 local terms energy: -25.754809 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -36.551660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.551660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.551660 (E_RNA) where: Base-Base interactions energy: -11.273 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.090 local terms energy: -25.189086 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -31.944710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.944710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.944710 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.498 Base-Backbone interact. energy: -0.072 local terms energy: -25.374833 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -2.052 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: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -27.139864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.139864 (E_RNA) where: Base-Base interactions energy: -4.050 where: short stacking energy: -4.050 Base-Backbone interact. energy: -0.000 local terms energy: -23.089296 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -4.493 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -28.078426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.078426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.078426 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.001 local terms energy: -19.963029 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -1.517 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -36.801328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.801328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.801328 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -10.900 Base-Backbone interact. energy: -0.001 local terms energy: -25.687820 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -34.180092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.180092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.180092 (E_RNA) where: Base-Base interactions energy: -11.165 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.017 local terms energy: -22.998182 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -1.661 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -39.038954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.038954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.038954 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.017 local terms energy: -29.008582 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -35.108852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.108852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.108852 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.020 Base-Backbone interact. energy: -0.062 local terms energy: -23.686906 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: 0.667 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: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -31.229724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229724 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.036 local terms energy: -23.789531 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -30.827403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.827403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.827403 (E_RNA) where: Base-Base interactions energy: -7.221 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.127 local terms energy: -23.479287 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -5.786 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -31.380296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.380296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.380296 (E_RNA) where: Base-Base interactions energy: -8.666 where: short stacking energy: -8.666 Base-Backbone interact. energy: -0.000 local terms energy: -22.714491 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -2.907 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: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -28.807887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.807887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.807887 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.011 local terms energy: -19.658529 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -4.675 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: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -30.835840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.835840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.835840 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.000 local terms energy: -23.593187 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -0.042 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: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -26.555226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.555226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.555226 (E_RNA) where: Base-Base interactions energy: -3.849 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.010 local terms energy: -22.696396 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -38.478217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478217 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -10.951 Base-Backbone interact. energy: 0.029 local terms energy: -27.556244 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -39.823615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.823615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.823615 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.001 local terms energy: -25.684726 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -4.635 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: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -42.919902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919902 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.000 local terms energy: -31.108493 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -32.635019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.635019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.635019 (E_RNA) where: Base-Base interactions energy: -6.690 where: short stacking energy: -6.690 Base-Backbone interact. energy: -0.670 local terms energy: -25.275462 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -36.620638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.620638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.620638 (E_RNA) where: Base-Base interactions energy: -8.519 where: short stacking energy: -8.519 Base-Backbone interact. energy: -0.068 local terms energy: -28.033350 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -4.013 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: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -35.409762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.409762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.409762 (E_RNA) where: Base-Base interactions energy: -9.760 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.000 local terms energy: -25.650046 where: bonds (distance) C4'-P energy: -3.207 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -3.241 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: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -32.532888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.532888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.532888 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.001 local terms energy: -24.666152 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -36.426139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426139 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.024 local terms energy: -25.326290 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -30.386939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.386939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.386939 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: 0.371 local terms energy: -26.638127 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -27.545983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.545983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.545983 (E_RNA) where: Base-Base interactions energy: -4.052 where: short stacking energy: -4.052 Base-Backbone interact. energy: -0.002 local terms energy: -23.491902 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -39.761106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.761106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.761106 (E_RNA) where: Base-Base interactions energy: -14.484 where: short stacking energy: -14.484 Base-Backbone interact. energy: -0.000 local terms energy: -25.277440 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -38.550625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.550625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.550625 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.282 Base-Backbone interact. energy: -0.010 local terms energy: -26.565688 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -36.485425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485425 (E_RNA) where: Base-Base interactions energy: -10.868 where: short stacking energy: -10.868 Base-Backbone interact. energy: -0.118 local terms energy: -25.499838 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -38.452517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.452517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.452517 (E_RNA) where: Base-Base interactions energy: -11.828 where: short stacking energy: -11.828 Base-Backbone interact. energy: -0.001 local terms energy: -26.623803 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.435 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: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -31.779053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.779053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.779053 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.042 local terms energy: -21.783169 where: bonds (distance) C4'-P energy: -6.472 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -1.357 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -38.472268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.472268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.472268 (E_RNA) where: Base-Base interactions energy: -15.900 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.003 local terms energy: -22.569530 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -30.355541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.355541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.355541 (E_RNA) where: Base-Base interactions energy: -7.935 where: short stacking energy: -7.935 Base-Backbone interact. energy: -0.015 local terms energy: -22.405242 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: 2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -30.933224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.933224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.933224 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.048 local terms energy: -20.793497 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -0.812 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: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -25.292846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.292846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.292846 (E_RNA) where: Base-Base interactions energy: -1.533 where: short stacking energy: -1.533 Base-Backbone interact. energy: -0.007 local terms energy: -23.752828 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.476 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: 10, replica: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -32.797586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.797586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.797586 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -5.376 Base-Backbone interact. energy: -0.009 local terms energy: -25.865502 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -3.634 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: 391 Temperature: 0.900000 Total energy: -41.692208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.692208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.692208 (E_RNA) where: Base-Base interactions energy: -11.797 where: short stacking energy: -11.797 Base-Backbone interact. energy: -0.001 local terms energy: -29.894620 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -4.691 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: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -37.844973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.844973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.844973 (E_RNA) where: Base-Base interactions energy: -13.442 where: short stacking energy: -13.442 Base-Backbone interact. energy: -0.001 local terms energy: -24.401848 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -36.975515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.975515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.975515 (E_RNA) where: Base-Base interactions energy: -10.565 where: short stacking energy: -10.565 Base-Backbone interact. energy: -0.031 local terms energy: -26.379128 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.192 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: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -33.549240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.549240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.549240 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.001 local terms energy: -26.064977 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -4.209 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: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -36.373676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.373676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.373676 (E_RNA) where: Base-Base interactions energy: -11.809 where: short stacking energy: -11.809 Base-Backbone interact. energy: -0.000 local terms energy: -24.564226 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -5.842 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -4.748 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: 391 Temperature: 1.150000 Total energy: -30.705217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.705217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.705217 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: -5.477 Base-Backbone interact. energy: -0.000 local terms energy: -25.228516 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -32.242846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.242846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.242846 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.011 local terms energy: -25.201580 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -1.583 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: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -28.210545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.210545 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: -0.000 local terms energy: -20.885500 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -1.212 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: 391 Temperature: 1.300000 Total energy: -29.722801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.722801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.722801 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.657 Base-Backbone interact. energy: -0.004 local terms energy: -23.062477 where: bonds (distance) C4'-P energy: -4.866 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -2.690 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: 10, replica: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -29.008809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.008809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.008809 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -6.970 Base-Backbone interact. energy: -0.123 local terms energy: -21.915630 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -3.428 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: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -37.745198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.745198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.745198 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.013 local terms energy: -27.459730 where: bonds (distance) C4'-P energy: -5.968 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -36.781483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.781483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.781483 (E_RNA) where: Base-Base interactions energy: -11.486 where: short stacking energy: -11.486 Base-Backbone interact. energy: -0.002 local terms energy: -25.293109 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -34.454172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.454172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.454172 (E_RNA) where: Base-Base interactions energy: -8.295 where: short stacking energy: -8.295 Base-Backbone interact. energy: -0.051 local terms energy: -26.108032 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -32.499396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.499396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.499396 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.002 local terms energy: -24.977135 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -3.789 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -32.085108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085108 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.002 local terms energy: -21.591201 where: bonds (distance) C4'-P energy: -3.853 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -0.956 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: 9 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -33.324841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324841 (E_RNA) where: Base-Base interactions energy: -8.700 where: short stacking energy: -8.700 Base-Backbone interact. energy: -0.398 local terms energy: -24.226654 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -30.448591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.448591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.448591 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.073 local terms energy: -23.035289 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -26.506914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.506914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.506914 (E_RNA) where: Base-Base interactions energy: -3.816 where: short stacking energy: -3.816 Base-Backbone interact. energy: -0.187 local terms energy: -22.503466 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: 1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -31.787226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.787226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.787226 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.088 local terms energy: -24.378318 where: bonds (distance) C4'-P energy: -5.218 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -34.135694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.135694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.135694 (E_RNA) where: Base-Base interactions energy: -5.565 where: short stacking energy: -5.565 Base-Backbone interact. energy: -0.041 local terms energy: -28.529798 where: bonds (distance) C4'-P energy: -5.731 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -39.480048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.480048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.480048 (E_RNA) where: Base-Base interactions energy: -14.618 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.041 local terms energy: -24.821143 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -2.486 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: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -44.579021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.579021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.579021 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -16.100 Base-Backbone interact. energy: -0.025 local terms energy: -28.454432 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -4.828 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -37.726404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.726404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.726404 (E_RNA) where: Base-Base interactions energy: -13.709 where: short stacking energy: -11.428 Base-Backbone interact. energy: 1.078 local terms energy: -25.095813 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -6.314 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.192 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -34.868557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.868557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.868557 (E_RNA) where: Base-Base interactions energy: -8.809 where: short stacking energy: -8.809 Base-Backbone interact. energy: -0.027 local terms energy: -26.032433 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -4.548 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: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -29.715323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.715323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.715323 (E_RNA) where: Base-Base interactions energy: -5.925 where: short stacking energy: -5.925 Base-Backbone interact. energy: -0.055 local terms energy: -23.735992 where: bonds (distance) C4'-P energy: -3.844 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -34.954501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.954501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.954501 (E_RNA) where: Base-Base interactions energy: -10.898 where: short stacking energy: -10.898 Base-Backbone interact. energy: -0.056 local terms energy: -24.000497 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.378 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: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -32.128366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.128366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.128366 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.002 local terms energy: -25.123584 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -2.624 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: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -27.886535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.886535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.886535 (E_RNA) where: Base-Base interactions energy: -2.619 where: short stacking energy: -2.619 Base-Backbone interact. energy: -0.001 local terms energy: -25.266126 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -32.950138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.950138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.950138 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.035 local terms energy: -22.529493 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -0.531 tors. eta vs tors. theta energy: -2.469 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: 393 Temperature: 1.350000 Total energy: -30.100950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.100950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.100950 (E_RNA) where: Base-Base interactions energy: -9.848 where: short stacking energy: -9.848 Base-Backbone interact. energy: -0.082 local terms energy: -20.170747 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -3.448 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -40.959063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.959063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.959063 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.857 Base-Backbone interact. energy: -0.024 local terms energy: -27.078076 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -3.379 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: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -37.873118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.873118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.873118 (E_RNA) where: Base-Base interactions energy: -9.531 where: short stacking energy: -9.531 Base-Backbone interact. energy: -0.000 local terms energy: -28.342388 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -36.140126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.140126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.140126 (E_RNA) where: Base-Base interactions energy: -8.964 where: short stacking energy: -8.964 Base-Backbone interact. energy: -0.000 local terms energy: -27.175316 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -1.891 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: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -33.855531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.855531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.855531 (E_RNA) where: Base-Base interactions energy: -8.864 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.064 local terms energy: -24.927126 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -33.599493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.599493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.599493 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.012 local terms energy: -25.744041 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -4.611 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: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -34.024044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.024044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.024044 (E_RNA) where: Base-Base interactions energy: -8.708 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.450 local terms energy: -24.865631 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -2.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -32.476195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.476195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.476195 (E_RNA) where: Base-Base interactions energy: -8.936 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.156 local terms energy: -23.384393 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -1.325 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: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -37.083685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.083685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.083685 (E_RNA) where: Base-Base interactions energy: -13.528 where: short stacking energy: -13.528 Base-Backbone interact. energy: -0.000 local terms energy: -23.556021 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -32.667190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.667190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.667190 (E_RNA) where: Base-Base interactions energy: -6.352 where: short stacking energy: -6.352 Base-Backbone interact. energy: -0.003 local terms energy: -26.312172 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -27.254750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.254750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.254750 (E_RNA) where: Base-Base interactions energy: -4.708 where: short stacking energy: -4.708 Base-Backbone interact. energy: 0.378 local terms energy: -22.924140 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -0.884 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: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -41.140543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.140543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.140543 (E_RNA) where: Base-Base interactions energy: -13.348 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.000 local terms energy: -27.792869 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -37.317053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.317053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.317053 (E_RNA) where: Base-Base interactions energy: -11.426 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.023 local terms energy: -25.868060 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -2.723 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: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -40.860550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.860550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.860550 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -11.752 Base-Backbone interact. energy: -0.060 local terms energy: -29.048816 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -4.153 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: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -34.702635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.702635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.702635 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.008 local terms energy: -26.131972 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -38.973474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.973474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.973474 (E_RNA) where: Base-Base interactions energy: -14.548 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.000 local terms energy: -24.425933 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -5.780 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -2.137 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: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -32.650405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.650405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.650405 (E_RNA) where: Base-Base interactions energy: -6.873 where: short stacking energy: -6.873 Base-Backbone interact. energy: -0.139 local terms energy: -25.638323 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -33.967985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.967985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.967985 (E_RNA) where: Base-Base interactions energy: -9.026 where: short stacking energy: -9.026 Base-Backbone interact. energy: -0.001 local terms energy: -24.940988 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.045 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -30.821270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.821270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.821270 (E_RNA) where: Base-Base interactions energy: -7.077 where: short stacking energy: -7.077 Base-Backbone interact. energy: -0.001 local terms energy: -23.743843 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -31.442138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.442138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.442138 (E_RNA) where: Base-Base interactions energy: -8.744 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.001 local terms energy: -22.697280 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -2.020 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: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -32.313408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.313408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.313408 (E_RNA) where: Base-Base interactions energy: -12.392 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.038 local terms energy: -19.883828 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -3.703 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -1.176 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: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -39.299519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.299519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.299519 (E_RNA) where: Base-Base interactions energy: -12.331 where: short stacking energy: -12.331 Base-Backbone interact. energy: -0.037 local terms energy: -26.931286 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -41.748506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.748506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.748506 (E_RNA) where: Base-Base interactions energy: -14.805 where: short stacking energy: -14.805 Base-Backbone interact. energy: -0.000 local terms energy: -26.943489 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -3.044 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: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -35.987489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.987489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.987489 (E_RNA) where: Base-Base interactions energy: -8.811 where: short stacking energy: -8.166 Base-Backbone interact. energy: -0.016 local terms energy: -27.160995 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -35.321920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.321920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.321920 (E_RNA) where: Base-Base interactions energy: -10.967 where: short stacking energy: -10.967 Base-Backbone interact. energy: -0.085 local terms energy: -24.270088 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -36.769595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.769595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.769595 (E_RNA) where: Base-Base interactions energy: -10.694 where: short stacking energy: -10.694 Base-Backbone interact. energy: -0.012 local terms energy: -26.063427 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -32.265277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.265277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.265277 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.163 local terms energy: -25.018203 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -30.810725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.810725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.810725 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.009 local terms energy: -22.213947 where: bonds (distance) C4'-P energy: -4.936 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -2.126 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -29.452634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.452634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.452634 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -1.136 local terms energy: -21.121860 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: 0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -27.168699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.168699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.168699 (E_RNA) where: Base-Base interactions energy: -8.425 where: short stacking energy: -8.425 Base-Backbone interact. energy: -0.051 local terms energy: -18.691915 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -2.713 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -28.485760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.485760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.485760 (E_RNA) where: Base-Base interactions energy: -9.446 where: short stacking energy: -5.945 Base-Backbone interact. energy: -0.397 local terms energy: -18.643205 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -0.130 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -43.211435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.211435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.211435 (E_RNA) where: Base-Base interactions energy: -14.517 where: short stacking energy: -14.517 Base-Backbone interact. energy: -0.001 local terms energy: -28.693244 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -41.545263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.545263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.545263 (E_RNA) where: Base-Base interactions energy: -12.885 where: short stacking energy: -12.885 Base-Backbone interact. energy: -0.001 local terms energy: -28.659351 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -39.717912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.717912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.717912 (E_RNA) where: Base-Base interactions energy: -11.232 where: short stacking energy: -11.232 Base-Backbone interact. energy: 0.492 local terms energy: -28.977549 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -5.800 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -34.457200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.457200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.457200 (E_RNA) where: Base-Base interactions energy: -11.764 where: short stacking energy: -11.764 Base-Backbone interact. energy: -0.189 local terms energy: -22.504030 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -1.206 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: 3 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -31.481444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.481444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.481444 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.002 local terms energy: -24.395879 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.560 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -30.293645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.293645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.293645 (E_RNA) where: Base-Base interactions energy: -3.978 where: short stacking energy: -3.978 Base-Backbone interact. energy: -0.087 local terms energy: -26.228522 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -30.723907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.723907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.723907 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.000 local terms energy: -23.266259 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.749 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: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -28.305751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.305751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.305751 (E_RNA) where: Base-Base interactions energy: -6.489 where: short stacking energy: -6.489 Base-Backbone interact. energy: -0.040 local terms energy: -21.776783 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -5.618 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: 0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -29.413664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.413664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.413664 (E_RNA) where: Base-Base interactions energy: -6.965 where: short stacking energy: -6.965 Base-Backbone interact. energy: -0.012 local terms energy: -22.436633 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -26.413058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.413058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.413058 (E_RNA) where: Base-Base interactions energy: -1.708 where: short stacking energy: -1.708 Base-Backbone interact. energy: -0.000 local terms energy: -24.705126 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -0.251 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: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -40.856774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.856774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.856774 (E_RNA) where: Base-Base interactions energy: -12.514 where: short stacking energy: -12.514 Base-Backbone interact. energy: -0.000 local terms energy: -28.342779 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -3.956 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: 398 Temperature: 0.950000 Total energy: -34.281147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.281147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.281147 (E_RNA) where: Base-Base interactions energy: -9.849 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.000 local terms energy: -24.432252 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -35.218141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.218141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.218141 (E_RNA) where: Base-Base interactions energy: -11.219 where: short stacking energy: -12.119 Base-Backbone interact. energy: -0.358 local terms energy: -23.641892 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -38.816446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816446 (E_RNA) where: Base-Base interactions energy: -12.922 where: short stacking energy: -12.922 Base-Backbone interact. energy: -0.000 local terms energy: -25.894701 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -3.161 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: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -31.833990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.833990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.833990 (E_RNA) where: Base-Base interactions energy: -11.924 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.154 local terms energy: -19.755959 where: bonds (distance) C4'-P energy: -4.599 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: 0.848 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -31.122615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.122615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.122615 (E_RNA) where: Base-Base interactions energy: -7.426 where: short stacking energy: -7.426 Base-Backbone interact. energy: -0.028 local terms energy: -23.668386 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.649 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -33.525814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.525814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.525814 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.005 local terms energy: -22.595760 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -0.624 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: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -28.793364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.793364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.793364 (E_RNA) where: Base-Base interactions energy: -5.364 where: short stacking energy: -4.814 Base-Backbone interact. energy: -0.013 local terms energy: -23.416444 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -5.222 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -1.526 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -29.942111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942111 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -8.977 Base-Backbone interact. energy: -0.009 local terms energy: -20.019031 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -4.076 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -0.119 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: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -31.364955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364955 (E_RNA) where: Base-Base interactions energy: -3.458 where: short stacking energy: -3.458 Base-Backbone interact. energy: -0.000 local terms energy: -27.906571 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -35.378041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.378041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.378041 (E_RNA) where: Base-Base interactions energy: -11.546 where: short stacking energy: -11.546 Base-Backbone interact. energy: -0.068 local terms energy: -23.763173 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: 0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -36.532202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.532202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.532202 (E_RNA) where: Base-Base interactions energy: -10.736 where: short stacking energy: -10.736 Base-Backbone interact. energy: -0.004 local terms energy: -25.792509 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -36.832988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.832988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.832988 (E_RNA) where: Base-Base interactions energy: -7.092 where: short stacking energy: -7.092 Base-Backbone interact. energy: -0.550 local terms energy: -29.191766 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -37.052075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.052075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.052075 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -2.036 local terms energy: -28.666273 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -3.937 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -31.328419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.328419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.328419 (E_RNA) where: Base-Base interactions energy: -8.848 where: short stacking energy: -8.848 Base-Backbone interact. energy: -0.046 local terms energy: -22.434143 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: 0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -37.072969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.072969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.072969 (E_RNA) where: Base-Base interactions energy: -12.254 where: short stacking energy: -8.945 Base-Backbone interact. energy: 0.252 local terms energy: -25.070763 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -29.633778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.633778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.633778 (E_RNA) where: Base-Base interactions energy: -5.382 where: short stacking energy: -5.382 Base-Backbone interact. energy: -0.008 local terms energy: -24.244212 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.762 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: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -29.410862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.410862 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.046 local terms energy: -21.278707 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -3.370 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -31.213637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.213637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.213637 (E_RNA) where: Base-Base interactions energy: -7.523 where: short stacking energy: -7.523 Base-Backbone interact. energy: -0.753 local terms energy: -22.936765 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -1.339 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: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -27.790362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.790362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.790362 (E_RNA) where: Base-Base interactions energy: -6.156 where: short stacking energy: -6.156 Base-Backbone interact. energy: -0.071 local terms energy: -21.562955 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.147 tors. eta vs tors. theta energy: 0.173 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: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -41.857675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.857675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.857675 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.501 Base-Backbone interact. energy: -0.001 local terms energy: -28.356248 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -4.932 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: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -43.618856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.618856 (E_RNA) where: Base-Base interactions energy: -15.232 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.000 local terms energy: -28.386396 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.263 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -5.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -37.507613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.507613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.507613 (E_RNA) where: Base-Base interactions energy: -9.732 where: short stacking energy: -9.732 Base-Backbone interact. energy: -0.006 local terms energy: -27.770207 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -34.134635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.134635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.134635 (E_RNA) where: Base-Base interactions energy: -9.927 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.059 local terms energy: -24.148094 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -33.872820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.872820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.872820 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.025 local terms energy: -24.141196 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -33.678979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.678979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.678979 (E_RNA) where: Base-Base interactions energy: -5.875 where: short stacking energy: -5.875 Base-Backbone interact. energy: -0.000 local terms energy: -27.804352 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -6.368 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: 7, replica: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -32.025713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.025713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.025713 (E_RNA) where: Base-Base interactions energy: -11.065 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.011 local terms energy: -20.949427 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -1.202 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: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -28.371254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.371254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.371254 (E_RNA) where: Base-Base interactions energy: -4.787 where: short stacking energy: -4.787 Base-Backbone interact. energy: -0.003 local terms energy: -23.581847 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.517 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: 9, replica: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -27.059471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.059471 (E_RNA) where: Base-Base interactions energy: -6.082 where: short stacking energy: -6.082 Base-Backbone interact. energy: -0.163 local terms energy: -20.814031 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -32.242753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.242753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.242753 (E_RNA) where: Base-Base interactions energy: -9.699 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.036 local terms energy: -22.507671 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -3.242 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -2.925 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: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -37.744302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.744302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.744302 (E_RNA) where: Base-Base interactions energy: -11.172 where: short stacking energy: -11.172 Base-Backbone interact. energy: -0.131 local terms energy: -26.441532 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -1.561 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: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -37.836147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836147 (E_RNA) where: Base-Base interactions energy: -10.318 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.001 local terms energy: -27.517382 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -35.888412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.888412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.888412 (E_RNA) where: Base-Base interactions energy: -11.718 where: short stacking energy: -11.718 Base-Backbone interact. energy: -0.000 local terms energy: -24.170214 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -0.799 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: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -38.294217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.294217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.294217 (E_RNA) where: Base-Base interactions energy: -12.678 where: short stacking energy: -12.678 Base-Backbone interact. energy: -0.728 local terms energy: -24.887829 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -39.091062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.091062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.091062 (E_RNA) where: Base-Base interactions energy: -13.322 where: short stacking energy: -13.322 Base-Backbone interact. energy: -0.010 local terms energy: -25.759438 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -32.910127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.910127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.910127 (E_RNA) where: Base-Base interactions energy: -10.061 where: short stacking energy: -10.061 Base-Backbone interact. energy: -0.131 local terms energy: -22.718368 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -29.753829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.753829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.753829 (E_RNA) where: Base-Base interactions energy: -8.742 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.617 local terms energy: -20.394623 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -1.844 tors. eta vs tors. theta energy: 0.553 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: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -28.908762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.908762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.908762 (E_RNA) where: Base-Base interactions energy: -5.740 where: short stacking energy: -5.740 Base-Backbone interact. energy: -0.001 local terms energy: -23.168362 where: bonds (distance) C4'-P energy: -4.614 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -0.551 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: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -29.432992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.432992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.432992 (E_RNA) where: Base-Base interactions energy: -10.125 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.071 local terms energy: -19.237465 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -0.621 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -29.748919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.748919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.748919 (E_RNA) where: Base-Base interactions energy: -4.684 where: short stacking energy: -4.684 Base-Backbone interact. energy: -0.003 local terms energy: -25.062097 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -5.096 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -40.361463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.361463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.361463 (E_RNA) where: Base-Base interactions energy: -15.804 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.055 local terms energy: -24.501929 where: bonds (distance) C4'-P energy: -7.110 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -40.998275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.998275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.998275 (E_RNA) where: Base-Base interactions energy: -15.039 where: short stacking energy: -15.039 Base-Backbone interact. energy: -0.002 local terms energy: -25.957693 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -5.134 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -36.344899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.344899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.344899 (E_RNA) where: Base-Base interactions energy: -12.278 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.029 local terms energy: -24.037986 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -32.210529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.210529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.210529 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.004 local terms energy: -24.775645 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: 0.556 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: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -36.822378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.822378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.822378 (E_RNA) where: Base-Base interactions energy: -10.986 where: short stacking energy: -10.986 Base-Backbone interact. energy: -0.000 local terms energy: -25.836481 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -32.326698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.326698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.326698 (E_RNA) where: Base-Base interactions energy: -11.089 where: short stacking energy: -10.300 Base-Backbone interact. energy: 0.626 local terms energy: -21.863605 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -28.073594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.073594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.073594 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.000 local terms energy: -18.888497 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: 0.532 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -26.919224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.919224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.919224 (E_RNA) where: Base-Base interactions energy: -3.933 where: short stacking energy: -3.933 Base-Backbone interact. energy: -0.240 local terms energy: -22.745376 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.225 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -28.331341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.331341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.331341 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.284 local terms energy: -19.505531 where: bonds (distance) C4'-P energy: -4.357 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: 1.014 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: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -32.194246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.194246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.194246 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.030 local terms energy: -24.169582 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -41.638896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.638896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.638896 (E_RNA) where: Base-Base interactions energy: -14.633 where: short stacking energy: -14.633 Base-Backbone interact. energy: -0.006 local terms energy: -26.999873 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -2.575 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: 403 Temperature: 0.950000 Total energy: -39.123358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.123358 (E_RNA) where: Base-Base interactions energy: -15.043 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.015 local terms energy: -24.065202 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -32.825709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825709 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.049 local terms energy: -24.383353 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -1.751 tors. eta vs tors. theta energy: -1.397 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: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -32.701468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.701468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.701468 (E_RNA) where: Base-Base interactions energy: -8.699 where: short stacking energy: -8.699 Base-Backbone interact. energy: -0.194 local terms energy: -23.808547 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -36.563742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563742 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.000 local terms energy: -23.625221 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: 0.266 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -35.020891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.020891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.020891 (E_RNA) where: Base-Base interactions energy: -9.685 where: short stacking energy: -9.685 Base-Backbone interact. energy: -0.001 local terms energy: -25.334679 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -29.886283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.886283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.886283 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -8.762 Base-Backbone interact. energy: -0.045 local terms energy: -21.079741 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -5.520 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: 0.460 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: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -29.812813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.812813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.812813 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.188 local terms energy: -19.272306 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: 1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -28.707881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.707881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.707881 (E_RNA) where: Base-Base interactions energy: -6.327 where: short stacking energy: -6.327 Base-Backbone interact. energy: -0.051 local terms energy: -22.329603 where: bonds (distance) C4'-P energy: -2.776 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -37.647556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.647556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.647556 (E_RNA) where: Base-Base interactions energy: -11.654 where: short stacking energy: -11.654 Base-Backbone interact. energy: -0.001 local terms energy: -25.993390 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -1.781 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: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -38.963600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.963600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.963600 (E_RNA) where: Base-Base interactions energy: -11.125 where: short stacking energy: -8.819 Base-Backbone interact. energy: -0.380 local terms energy: -27.458196 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -3.302 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: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -40.851031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.851031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.851031 (E_RNA) where: Base-Base interactions energy: -15.431 where: short stacking energy: -15.431 Base-Backbone interact. energy: -0.011 local terms energy: -25.409546 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -35.246195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246195 (E_RNA) where: Base-Base interactions energy: -10.204 where: short stacking energy: -10.204 Base-Backbone interact. energy: -0.087 local terms energy: -24.955248 where: bonds (distance) C4'-P energy: -4.229 bonds (distance) P-C4' energy: -6.500 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -1.757 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: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -34.132426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.132426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.132426 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.004 local terms energy: -24.709906 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -35.351997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.351997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.351997 (E_RNA) where: Base-Base interactions energy: -12.198 where: short stacking energy: -12.198 Base-Backbone interact. energy: -0.045 local terms energy: -23.109120 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -1.042 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: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -31.459749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.459749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.459749 (E_RNA) where: Base-Base interactions energy: -10.757 where: short stacking energy: -10.757 Base-Backbone interact. energy: -0.095 local terms energy: -20.608106 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -1.420 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -32.755676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.755676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.755676 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.001 local terms energy: -21.652903 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -33.743545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.743545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.743545 (E_RNA) where: Base-Base interactions energy: -9.581 where: short stacking energy: -9.581 Base-Backbone interact. energy: -0.000 local terms energy: -24.162503 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -0.472 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: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -34.926376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.926376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.926376 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -7.142 Base-Backbone interact. energy: -0.000 local terms energy: -27.339738 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -28.317490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.317490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.317490 (E_RNA) where: Base-Base interactions energy: -5.056 where: short stacking energy: -5.056 Base-Backbone interact. energy: -0.002 local terms energy: -23.260112 where: bonds (distance) C4'-P energy: -3.984 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.464 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: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -37.715184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.715184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.715184 (E_RNA) where: Base-Base interactions energy: -10.722 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.054 local terms energy: -26.939973 where: bonds (distance) C4'-P energy: -5.834 bonds (distance) P-C4' energy: -5.286 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -5.153 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: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -39.650026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.650026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.650026 (E_RNA) where: Base-Base interactions energy: -12.234 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.024 local terms energy: -27.392235 where: bonds (distance) C4'-P energy: -5.202 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -36.878346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.878346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.878346 (E_RNA) where: Base-Base interactions energy: -10.080 where: short stacking energy: -10.080 Base-Backbone interact. energy: -0.000 local terms energy: -26.797747 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -37.707006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.707006 (E_RNA) where: Base-Base interactions energy: -10.468 where: short stacking energy: -10.468 Base-Backbone interact. energy: -0.056 local terms energy: -27.183208 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -4.902 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: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -30.871870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.871870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.871870 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.102 local terms energy: -21.781578 where: bonds (distance) C4'-P energy: -4.369 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: 0.373 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: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -37.349253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.349253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.349253 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -8.633 Base-Backbone interact. energy: -0.000 local terms energy: -28.716109 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -30.522792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.522792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.522792 (E_RNA) where: Base-Base interactions energy: -7.368 where: short stacking energy: -7.368 Base-Backbone interact. energy: -0.005 local terms energy: -23.149821 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -5.976 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.397 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: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -34.643480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.643480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.643480 (E_RNA) where: Base-Base interactions energy: -11.395 where: short stacking energy: -11.395 Base-Backbone interact. energy: -0.000 local terms energy: -23.247968 where: bonds (distance) C4'-P energy: -4.054 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -4.292 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: 9, replica: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -38.656136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656136 (E_RNA) where: Base-Base interactions energy: -16.019 where: short stacking energy: -15.880 Base-Backbone interact. energy: -0.098 local terms energy: -22.539473 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -3.216 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -26.213807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.213807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.213807 (E_RNA) where: Base-Base interactions energy: -2.754 where: short stacking energy: -2.754 Base-Backbone interact. energy: -0.164 local terms energy: -23.296646 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -41.006474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.006474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.006474 (E_RNA) where: Base-Base interactions energy: -10.683 where: short stacking energy: -10.683 Base-Backbone interact. energy: -0.037 local terms energy: -30.286461 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -4.795 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: 406 Temperature: 0.950000 Total energy: -43.198222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.198222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.198222 (E_RNA) where: Base-Base interactions energy: -16.611 where: short stacking energy: -16.611 Base-Backbone interact. energy: -0.217 local terms energy: -26.370564 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -42.594632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.594632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.594632 (E_RNA) where: Base-Base interactions energy: -15.719 where: short stacking energy: -15.719 Base-Backbone interact. energy: -0.000 local terms energy: -26.875778 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -3.109 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: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -34.198600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.198600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.198600 (E_RNA) where: Base-Base interactions energy: -10.933 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.090 local terms energy: -23.175463 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -34.806680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806680 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.001 local terms energy: -23.731060 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -1.850 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: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -32.307413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.307413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.307413 (E_RNA) where: Base-Base interactions energy: -9.037 where: short stacking energy: -9.037 Base-Backbone interact. energy: -0.068 local terms energy: -23.202551 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -3.477 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -32.912399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.912399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.912399 (E_RNA) where: Base-Base interactions energy: -10.112 where: short stacking energy: -10.112 Base-Backbone interact. energy: -0.035 local terms energy: -22.764702 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -33.210176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.210176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.210176 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.004 local terms energy: -23.415745 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -6.761 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -28.325902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.325902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.325902 (E_RNA) where: Base-Base interactions energy: -3.783 where: short stacking energy: -3.783 Base-Backbone interact. energy: -0.035 local terms energy: -24.507766 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.014 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: 0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -30.551330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.551330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.551330 (E_RNA) where: Base-Base interactions energy: -8.206 where: short stacking energy: -8.206 Base-Backbone interact. energy: -0.000 local terms energy: -22.344807 where: bonds (distance) C4'-P energy: -4.167 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -5.910 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: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -37.580827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.580827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.580827 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.001 local terms energy: -26.882630 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -36.664629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.664629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.664629 (E_RNA) where: Base-Base interactions energy: -9.898 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.012 local terms energy: -26.754605 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -34.505235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.505235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.505235 (E_RNA) where: Base-Base interactions energy: -9.926 where: short stacking energy: -9.926 Base-Backbone interact. energy: -0.009 local terms energy: -24.569495 where: bonds (distance) C4'-P energy: -5.542 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -34.524627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524627 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.000 local terms energy: -23.994585 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.022 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -31.769915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.769915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.769915 (E_RNA) where: Base-Base interactions energy: -11.667 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.010 local terms energy: -20.092984 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 1.758 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: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -33.603168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.603168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.603168 (E_RNA) where: Base-Base interactions energy: -10.654 where: short stacking energy: -10.654 Base-Backbone interact. energy: -0.032 local terms energy: -22.917752 where: bonds (distance) C4'-P energy: -3.410 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -1.265 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: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -33.829827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.829827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.829827 (E_RNA) where: Base-Base interactions energy: -10.795 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.000 local terms energy: -23.034223 where: bonds (distance) C4'-P energy: -6.100 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -35.252019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252019 (E_RNA) where: Base-Base interactions energy: -11.281 where: short stacking energy: -11.281 Base-Backbone interact. energy: -0.001 local terms energy: -23.970637 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -5.296 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -2.081 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -34.381010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.381010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.381010 (E_RNA) where: Base-Base interactions energy: -9.334 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.013 local terms energy: -25.033886 where: bonds (distance) C4'-P energy: -5.467 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -3.505 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: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -31.949989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949989 (E_RNA) where: Base-Base interactions energy: -9.403 where: short stacking energy: -9.403 Base-Backbone interact. energy: -0.100 local terms energy: -22.447264 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -41.448410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448410 (E_RNA) where: Base-Base interactions energy: -15.425 where: short stacking energy: -15.425 Base-Backbone interact. energy: -0.026 local terms energy: -25.996526 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -40.984802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.984802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.984802 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -14.320 Base-Backbone interact. energy: -0.117 local terms energy: -27.148024 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -4.252 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: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -31.723073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.723073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.723073 (E_RNA) where: Base-Base interactions energy: -6.340 where: short stacking energy: -6.340 Base-Backbone interact. energy: -0.072 local terms energy: -25.311978 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -1.197 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: 408 Temperature: 1.050000 Total energy: -34.867335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867335 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.004 local terms energy: -27.554153 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -3.412 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -32.763868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.763868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.763868 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: 0.420 local terms energy: -25.588031 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -5.971 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -34.474475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.474475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.474475 (E_RNA) where: Base-Base interactions energy: -11.081 where: short stacking energy: -11.081 Base-Backbone interact. energy: -0.101 local terms energy: -23.292226 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -29.534333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.534333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.534333 (E_RNA) where: Base-Base interactions energy: -4.036 where: short stacking energy: -4.036 Base-Backbone interact. energy: -0.002 local terms energy: -25.496833 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: 0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -30.579704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.579704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.579704 (E_RNA) where: Base-Base interactions energy: -4.714 where: short stacking energy: -4.714 Base-Backbone interact. energy: -0.002 local terms energy: -25.863616 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -27.240637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.240637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.240637 (E_RNA) where: Base-Base interactions energy: -4.786 where: short stacking energy: -4.786 Base-Backbone interact. energy: -0.084 local terms energy: -22.371431 where: bonds (distance) C4'-P energy: -3.302 bonds (distance) P-C4' energy: -5.652 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -2.142 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: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -28.773460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.773460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.773460 (E_RNA) where: Base-Base interactions energy: -5.110 where: short stacking energy: -5.110 Base-Backbone interact. energy: -0.000 local terms energy: -23.662918 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -41.776484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.776484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.776484 (E_RNA) where: Base-Base interactions energy: -15.937 where: short stacking energy: -15.937 Base-Backbone interact. energy: -0.000 local terms energy: -25.838984 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.912 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: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -30.476021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.476021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.476021 (E_RNA) where: Base-Base interactions energy: -3.430 where: short stacking energy: -3.430 Base-Backbone interact. energy: -0.102 local terms energy: -26.944182 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -2.231 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: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -34.768026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.768026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.768026 (E_RNA) where: Base-Base interactions energy: -11.098 where: short stacking energy: -11.098 Base-Backbone interact. energy: -0.016 local terms energy: -23.653750 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -38.795613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.795613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.795613 (E_RNA) where: Base-Base interactions energy: -14.832 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.090 local terms energy: -23.873955 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -5.167 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -1.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -32.786086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.786086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.786086 (E_RNA) where: Base-Base interactions energy: -5.987 where: short stacking energy: -5.987 Base-Backbone interact. energy: -0.000 local terms energy: -26.798934 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -3.012 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: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -32.310511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.310511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.310511 (E_RNA) where: Base-Base interactions energy: -6.801 where: short stacking energy: -6.801 Base-Backbone interact. energy: -0.039 local terms energy: -25.470174 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -27.866098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.866098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.866098 (E_RNA) where: Base-Base interactions energy: -3.715 where: short stacking energy: -3.715 Base-Backbone interact. energy: -0.129 local terms energy: -24.021894 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -2.599 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -2.955 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: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -28.483650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.483650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.483650 (E_RNA) where: Base-Base interactions energy: -5.847 where: short stacking energy: -5.847 Base-Backbone interact. energy: -0.021 local terms energy: -22.615903 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.081 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -1.570 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: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -31.584821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.584821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.584821 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.001 local terms energy: -21.347604 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -2.304 tors. eta vs tors. theta energy: -2.376 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: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -29.398966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.398966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.398966 (E_RNA) where: Base-Base interactions energy: -7.991 where: short stacking energy: -7.991 Base-Backbone interact. energy: -0.838 local terms energy: -20.569831 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: 0.727 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -34.690316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.690316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.690316 (E_RNA) where: Base-Base interactions energy: -9.460 where: short stacking energy: -9.460 Base-Backbone interact. energy: -0.093 local terms energy: -25.137509 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: 0.283 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: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -39.058404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.058404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.058404 (E_RNA) where: Base-Base interactions energy: -13.338 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.062 local terms energy: -25.657817 where: bonds (distance) C4'-P energy: -4.796 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -3.654 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: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -36.344356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.344356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.344356 (E_RNA) where: Base-Base interactions energy: -10.947 where: short stacking energy: -10.947 Base-Backbone interact. energy: -0.000 local terms energy: -25.397203 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.215 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: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -31.582884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582884 (E_RNA) where: Base-Base interactions energy: -8.462 where: short stacking energy: -8.462 Base-Backbone interact. energy: -0.182 local terms energy: -22.938640 where: bonds (distance) C4'-P energy: -6.515 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: 1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -33.771955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771955 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.178 Base-Backbone interact. energy: -0.016 local terms energy: -20.274436 where: bonds (distance) C4'-P energy: -4.800 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -34.554282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.554282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.554282 (E_RNA) where: Base-Base interactions energy: -11.468 where: short stacking energy: -11.468 Base-Backbone interact. energy: -0.018 local terms energy: -23.068417 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -29.108126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.108126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.108126 (E_RNA) where: Base-Base interactions energy: -4.812 where: short stacking energy: -4.812 Base-Backbone interact. energy: -0.004 local terms energy: -24.292208 where: bonds (distance) C4'-P energy: -5.575 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -27.657699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.657699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.657699 (E_RNA) where: Base-Base interactions energy: -4.303 where: short stacking energy: -4.303 Base-Backbone interact. energy: -0.033 local terms energy: -23.320950 where: bonds (distance) C4'-P energy: -6.482 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: 2.132 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: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -28.204582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.204582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.204582 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.002 local terms energy: -21.537708 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -40.340202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.340202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.340202 (E_RNA) where: Base-Base interactions energy: -13.901 where: short stacking energy: -13.901 Base-Backbone interact. energy: -0.017 local terms energy: -26.421726 where: bonds (distance) C4'-P energy: -6.187 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -4.378 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: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -38.842099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.842099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.842099 (E_RNA) where: Base-Base interactions energy: -9.762 where: short stacking energy: -9.762 Base-Backbone interact. energy: -0.018 local terms energy: -29.061742 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -4.150 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: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -35.131606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.131606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.131606 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.141 local terms energy: -26.952857 where: bonds (distance) C4'-P energy: -7.433 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -2.804 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: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -33.627181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.627181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.627181 (E_RNA) where: Base-Base interactions energy: -10.491 where: short stacking energy: -10.491 Base-Backbone interact. energy: -0.008 local terms energy: -23.128468 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -34.069386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.069386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.069386 (E_RNA) where: Base-Base interactions energy: -8.935 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.486 local terms energy: -24.648013 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -30.728720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.728720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.728720 (E_RNA) where: Base-Base interactions energy: -7.753 where: short stacking energy: -7.753 Base-Backbone interact. energy: -0.001 local terms energy: -22.974072 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -7.283 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -35.130908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.130908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.130908 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.006 local terms energy: -23.771690 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.855 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -34.213255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.213255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.213255 (E_RNA) where: Base-Base interactions energy: -6.044 where: short stacking energy: -6.044 Base-Backbone interact. energy: -0.099 local terms energy: -28.070677 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -3.830 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: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -29.898466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.898466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.898466 (E_RNA) where: Base-Base interactions energy: -5.989 where: short stacking energy: -5.989 Base-Backbone interact. energy: -0.004 local terms energy: -23.905007 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -1.354 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: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -32.321694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.321694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.321694 (E_RNA) where: Base-Base interactions energy: -10.500 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.893 local terms energy: -20.929341 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -28.577947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.577947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.577947 (E_RNA) where: Base-Base interactions energy: -4.591 where: short stacking energy: -4.203 Base-Backbone interact. energy: -0.026 local terms energy: -23.961355 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.200 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -37.783508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.783508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.783508 (E_RNA) where: Base-Base interactions energy: -11.446 where: short stacking energy: -11.446 Base-Backbone interact. energy: -0.152 local terms energy: -26.185572 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.051 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: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -42.560567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.560567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.560567 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.001 local terms energy: -27.967889 where: bonds (distance) C4'-P energy: -5.603 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -32.368288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.368288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.368288 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.339 local terms energy: -21.350445 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -38.813188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813188 (E_RNA) where: Base-Base interactions energy: -14.299 where: short stacking energy: -14.299 Base-Backbone interact. energy: -0.000 local terms energy: -24.514601 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -6.190 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: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -37.187613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.187613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.187613 (E_RNA) where: Base-Base interactions energy: -12.665 where: short stacking energy: -12.337 Base-Backbone interact. energy: -0.172 local terms energy: -24.350925 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -4.964 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: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -33.534538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.534538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.534538 (E_RNA) where: Base-Base interactions energy: -11.305 where: short stacking energy: -11.305 Base-Backbone interact. energy: -0.557 local terms energy: -21.672838 where: bonds (distance) C4'-P energy: -5.272 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -3.732 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: 0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -29.153685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.153685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.153685 (E_RNA) where: Base-Base interactions energy: -6.506 where: short stacking energy: -1.856 Base-Backbone interact. energy: -0.102 local terms energy: -22.544998 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: 0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -28.094075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.094075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.094075 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.022 local terms energy: -20.324271 where: bonds (distance) C4'-P energy: -3.504 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -28.495726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.495726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.495726 (E_RNA) where: Base-Base interactions energy: -6.287 where: short stacking energy: -6.287 Base-Backbone interact. energy: -0.023 local terms energy: -22.185746 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -30.392983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.392983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.392983 (E_RNA) where: Base-Base interactions energy: -8.290 where: short stacking energy: -8.290 Base-Backbone interact. energy: -0.050 local terms energy: -22.053176 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -1.739 tors. eta vs tors. theta energy: -0.733 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: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -36.510007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.510007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.510007 (E_RNA) where: Base-Base interactions energy: -10.327 where: short stacking energy: -10.327 Base-Backbone interact. energy: -0.000 local terms energy: -26.183023 where: bonds (distance) C4'-P energy: -4.892 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -39.447377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.447377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.447377 (E_RNA) where: Base-Base interactions energy: -15.127 where: short stacking energy: -15.127 Base-Backbone interact. energy: -0.073 local terms energy: -24.247465 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -2.077 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: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -35.839383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.839383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.839383 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.066 local terms energy: -26.572652 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -2.387 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: 413 Temperature: 1.050000 Total energy: -34.055726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.055726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.055726 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.021 local terms energy: -19.989748 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -33.852795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.852795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.852795 (E_RNA) where: Base-Base interactions energy: -9.809 where: short stacking energy: -9.809 Base-Backbone interact. energy: -0.016 local terms energy: -24.028319 where: bonds (distance) C4'-P energy: -4.768 bonds (distance) P-C4' energy: -3.817 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -36.822730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.822730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.822730 (E_RNA) where: Base-Base interactions energy: -11.146 where: short stacking energy: -11.146 Base-Backbone interact. energy: -0.000 local terms energy: -25.676359 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -2.034 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: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -28.917246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.917246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.917246 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: 0.854 local terms energy: -22.558481 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: 1.307 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: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -31.010572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.010572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.010572 (E_RNA) where: Base-Base interactions energy: -6.648 where: short stacking energy: -6.648 Base-Backbone interact. energy: -0.004 local terms energy: -24.358084 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -27.665267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.665267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.665267 (E_RNA) where: Base-Base interactions energy: -2.031 where: short stacking energy: -0.394 Base-Backbone interact. energy: -0.090 local terms energy: -25.543611 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -1.754 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -26.687149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.687149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.687149 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: -5.470 Base-Backbone interact. energy: -0.063 local terms energy: -21.154466 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: 2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -46.695630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.695630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.695630 (E_RNA) where: Base-Base interactions energy: -17.031 where: short stacking energy: -15.560 Base-Backbone interact. energy: -0.000 local terms energy: -29.664594 where: bonds (distance) C4'-P energy: -5.521 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -5.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -40.803009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803009 (E_RNA) where: Base-Base interactions energy: -13.929 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.095 local terms energy: -26.778919 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.814 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -4.472 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: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -30.688023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.688023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.688023 (E_RNA) where: Base-Base interactions energy: -8.538 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.524 local terms energy: -21.626307 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.182 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -33.013179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.013179 (E_RNA) where: Base-Base interactions energy: -6.391 where: short stacking energy: -6.391 Base-Backbone interact. energy: -0.005 local terms energy: -26.617812 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -31.636031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.636031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.636031 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.029 local terms energy: -20.199242 where: bonds (distance) C4'-P energy: -5.339 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.469 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: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -31.855322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.855322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.855322 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.000 local terms energy: -24.008993 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -0.979 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -29.801526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.801526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.801526 (E_RNA) where: Base-Base interactions energy: -8.407 where: short stacking energy: -8.407 Base-Backbone interact. energy: -0.087 local terms energy: -21.307424 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -29.208588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.208588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.208588 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.000 local terms energy: -20.377336 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -31.611452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.611452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.611452 (E_RNA) where: Base-Base interactions energy: -6.189 where: short stacking energy: -6.189 Base-Backbone interact. energy: -0.085 local terms energy: -25.337317 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -29.139171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.139171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.139171 (E_RNA) where: Base-Base interactions energy: -5.437 where: short stacking energy: -3.979 Base-Backbone interact. energy: -0.084 local terms energy: -23.617646 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -34.192654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.192654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.192654 (E_RNA) where: Base-Base interactions energy: -12.764 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.029 local terms energy: -21.400206 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.666 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: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -43.937970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.937970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.937970 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.004 local terms energy: -29.113845 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -4.657 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -35.484976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.484976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.484976 (E_RNA) where: Base-Base interactions energy: -11.536 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.050 local terms energy: -23.898974 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -35.312505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.312505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.312505 (E_RNA) where: Base-Base interactions energy: -9.269 where: short stacking energy: -9.269 Base-Backbone interact. energy: -0.001 local terms energy: -26.042390 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -37.641190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.641190 (E_RNA) where: Base-Base interactions energy: -11.177 where: short stacking energy: -11.177 Base-Backbone interact. energy: -0.000 local terms energy: -26.464486 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -32.085627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085627 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.297 local terms energy: -23.631654 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -1.314 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: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -35.557225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.557225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.557225 (E_RNA) where: Base-Base interactions energy: -8.832 where: short stacking energy: -8.832 Base-Backbone interact. energy: -0.000 local terms energy: -26.725354 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -2.086 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: 415 Temperature: 1.250000 Total energy: -30.513678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.513678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.513678 (E_RNA) where: Base-Base interactions energy: -1.881 where: short stacking energy: -1.881 Base-Backbone interact. energy: -0.000 local terms energy: -28.632883 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -30.544830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.544830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.544830 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.008 local terms energy: -22.100566 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -6.661 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: 1.637 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: 415 Temperature: 1.350000 Total energy: -30.607864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.607864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.607864 (E_RNA) where: Base-Base interactions energy: -6.421 where: short stacking energy: -6.421 Base-Backbone interact. energy: -0.000 local terms energy: -24.187314 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -38.089252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.089252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.089252 (E_RNA) where: Base-Base interactions energy: -11.169 where: short stacking energy: -11.169 Base-Backbone interact. energy: -0.088 local terms energy: -26.832478 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -35.737575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.737575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.737575 (E_RNA) where: Base-Base interactions energy: -9.972 where: short stacking energy: -9.972 Base-Backbone interact. energy: -0.023 local terms energy: -25.741836 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -35.236113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236113 (E_RNA) where: Base-Base interactions energy: -11.368 where: short stacking energy: -11.368 Base-Backbone interact. energy: -0.177 local terms energy: -23.691064 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -38.322568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.322568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.322568 (E_RNA) where: Base-Base interactions energy: -12.277 where: short stacking energy: -12.277 Base-Backbone interact. energy: -0.005 local terms energy: -26.040547 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -28.433446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.433446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.433446 (E_RNA) where: Base-Base interactions energy: -4.257 where: short stacking energy: -4.546 Base-Backbone interact. energy: -0.069 local terms energy: -24.107532 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: 0.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -29.677597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677597 (E_RNA) where: Base-Base interactions energy: -3.999 where: short stacking energy: -3.999 Base-Backbone interact. energy: -0.000 local terms energy: -25.678617 where: bonds (distance) C4'-P energy: -4.622 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -29.797535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.797535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.797535 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: 0.321 local terms energy: -24.609577 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -33.433574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.433574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.433574 (E_RNA) where: Base-Base interactions energy: -10.313 where: short stacking energy: -10.313 Base-Backbone interact. energy: -0.000 local terms energy: -23.119793 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -3.033 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -30.656680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.656680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.656680 (E_RNA) where: Base-Base interactions energy: -6.324 where: short stacking energy: -6.324 Base-Backbone interact. energy: -0.039 local terms energy: -24.293980 where: bonds (distance) C4'-P energy: -6.870 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -31.334580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.334580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.334580 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.087 local terms energy: -24.397529 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -3.823 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -2.504 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: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -36.873394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.873394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.873394 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.017 local terms energy: -25.771792 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -33.240014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.240014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.240014 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.066 local terms energy: -25.890169 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -37.672923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.672923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.672923 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -10.091 Base-Backbone interact. energy: -0.073 local terms energy: -27.509118 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -38.831035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.831035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.831035 (E_RNA) where: Base-Base interactions energy: -13.046 where: short stacking energy: -11.684 Base-Backbone interact. energy: 0.336 local terms energy: -26.120881 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -3.023 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: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -34.945495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945495 (E_RNA) where: Base-Base interactions energy: -12.329 where: short stacking energy: -12.329 Base-Backbone interact. energy: 0.451 local terms energy: -23.067490 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: 1.075 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: 417 Temperature: 1.150000 Total energy: -31.960819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.960819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.960819 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.071 local terms energy: -24.716993 where: bonds (distance) C4'-P energy: -5.727 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -34.214605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.214605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.214605 (E_RNA) where: Base-Base interactions energy: -12.785 where: short stacking energy: -12.785 Base-Backbone interact. energy: -0.016 local terms energy: -21.413993 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -0.596 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: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -28.618301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.618301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.618301 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.500 Base-Backbone interact. energy: -0.033 local terms energy: -21.083076 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.115 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: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -34.020175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.020175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.020175 (E_RNA) where: Base-Base interactions energy: -8.953 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.000 local terms energy: -25.067130 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -28.281420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.281420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.281420 (E_RNA) where: Base-Base interactions energy: -6.181 where: short stacking energy: -5.790 Base-Backbone interact. energy: -0.002 local terms energy: -22.098368 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -40.761244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.761244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.761244 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.000 local terms energy: -30.055332 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.546 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: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -37.531704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.531704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.531704 (E_RNA) where: Base-Base interactions energy: -12.070 where: short stacking energy: -12.070 Base-Backbone interact. energy: -0.067 local terms energy: -25.394503 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -39.691811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.691811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.691811 (E_RNA) where: Base-Base interactions energy: -12.651 where: short stacking energy: -12.651 Base-Backbone interact. energy: -0.020 local terms energy: -27.021427 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -2.797 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: 2 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -29.636227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636227 (E_RNA) where: Base-Base interactions energy: -7.546 where: short stacking energy: -7.546 Base-Backbone interact. energy: -0.037 local terms energy: -22.052845 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -30.721268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.721268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.721268 (E_RNA) where: Base-Base interactions energy: -8.758 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.021 local terms energy: -21.942009 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -1.270 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: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -30.495444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.495444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.495444 (E_RNA) where: Base-Base interactions energy: -8.303 where: short stacking energy: -8.744 Base-Backbone interact. energy: -0.002 local terms energy: -22.190760 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -2.886 flat angles P-C4'-P energy: -3.377 tors. eta vs tors. theta energy: -2.788 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -35.018121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.018121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.018121 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.108 Base-Backbone interact. energy: -0.005 local terms energy: -22.904587 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -32.717209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.717209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.717209 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.099 local terms energy: -21.902729 where: bonds (distance) C4'-P energy: -4.721 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -3.137 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -31.848820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.848820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.848820 (E_RNA) where: Base-Base interactions energy: -6.876 where: short stacking energy: -6.876 Base-Backbone interact. energy: -0.040 local terms energy: -24.932564 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -33.033221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.033221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.033221 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.003 local terms energy: -22.436694 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -2.773 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: 419 Temperature: 0.900000 Total energy: -43.845371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.845371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.845371 (E_RNA) where: Base-Base interactions energy: -15.049 where: short stacking energy: -15.049 Base-Backbone interact. energy: -0.599 local terms energy: -28.196950 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -37.100898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.100898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.100898 (E_RNA) where: Base-Base interactions energy: -11.463 where: short stacking energy: -11.463 Base-Backbone interact. energy: -0.117 local terms energy: -25.521043 where: bonds (distance) C4'-P energy: -6.216 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -38.953348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.953348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.953348 (E_RNA) where: Base-Base interactions energy: -12.215 where: short stacking energy: -12.215 Base-Backbone interact. energy: -0.001 local terms energy: -26.736971 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.289 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -1.359 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: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -34.390839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.390839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.390839 (E_RNA) where: Base-Base interactions energy: -7.279 where: short stacking energy: -7.279 Base-Backbone interact. energy: -0.000 local terms energy: -27.111395 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -31.876745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.876745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.876745 (E_RNA) where: Base-Base interactions energy: -9.705 where: short stacking energy: -9.705 Base-Backbone interact. energy: -0.011 local terms energy: -22.160668 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -0.442 tors. eta vs tors. theta energy: -4.210 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -32.213426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.213426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.213426 (E_RNA) where: Base-Base interactions energy: -9.454 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.011 local terms energy: -22.748136 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -2.220 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: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -30.160313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160313 (E_RNA) where: Base-Base interactions energy: -6.636 where: short stacking energy: -6.636 Base-Backbone interact. energy: -0.005 local terms energy: -23.519200 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.351 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -33.849556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.849556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.849556 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.003 local terms energy: -26.853228 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -2.738 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -3.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -28.653139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.653139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.653139 (E_RNA) where: Base-Base interactions energy: -5.233 where: short stacking energy: -5.233 Base-Backbone interact. energy: -0.005 local terms energy: -23.415368 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: 1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -26.349731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.349731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.349731 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.116 local terms energy: -19.322564 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -37.487984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.487984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.487984 (E_RNA) where: Base-Base interactions energy: -8.683 where: short stacking energy: -8.683 Base-Backbone interact. energy: -1.000 local terms energy: -27.805154 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -0.996 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: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -36.930701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.930701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.930701 (E_RNA) where: Base-Base interactions energy: -14.338 where: short stacking energy: -14.338 Base-Backbone interact. energy: -0.000 local terms energy: -22.592548 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -1.268 tors. eta vs tors. theta energy: -2.922 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: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -41.408938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.408938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.408938 (E_RNA) where: Base-Base interactions energy: -12.084 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.002 local terms energy: -29.322840 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -36.739767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.739767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.739767 (E_RNA) where: Base-Base interactions energy: -10.861 where: short stacking energy: -10.861 Base-Backbone interact. energy: -0.081 local terms energy: -25.798200 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -1.338 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: 420 Temperature: 1.100000 Total energy: -34.997919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.997919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.997919 (E_RNA) where: Base-Base interactions energy: -7.932 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.110 local terms energy: -26.955864 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -2.542 tors. eta vs tors. theta energy: -2.530 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: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -30.141082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141082 (E_RNA) where: Base-Base interactions energy: -7.738 where: short stacking energy: -7.738 Base-Backbone interact. energy: -0.091 local terms energy: -22.312229 where: bonds (distance) C4'-P energy: -7.334 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -0.135 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: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -27.778877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.778877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.778877 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.075 local terms energy: -19.977174 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: 0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -28.035049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.035049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.035049 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.123 local terms energy: -21.113937 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -4.998 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: 0.837 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: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -29.742214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742214 (E_RNA) where: Base-Base interactions energy: -9.438 where: short stacking energy: -9.438 Base-Backbone interact. energy: -0.027 local terms energy: -20.277340 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: 1.740 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: 420 Temperature: 1.350000 Total energy: -30.052149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.052149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.052149 (E_RNA) where: Base-Base interactions energy: -7.642 where: short stacking energy: -7.642 Base-Backbone interact. energy: -0.178 local terms energy: -22.231871 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -5.418 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -40.450337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.450337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.450337 (E_RNA) where: Base-Base interactions energy: -16.043 where: short stacking energy: -16.043 Base-Backbone interact. energy: -0.119 local terms energy: -24.288207 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -1.983 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: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -37.006308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006308 (E_RNA) where: Base-Base interactions energy: -11.435 where: short stacking energy: -11.435 Base-Backbone interact. energy: -0.054 local terms energy: -25.517513 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -3.904 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -35.905768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.905768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.905768 (E_RNA) where: Base-Base interactions energy: -9.589 where: short stacking energy: -9.589 Base-Backbone interact. energy: -0.082 local terms energy: -26.234375 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -1.359 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: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -32.498469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.498469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.498469 (E_RNA) where: Base-Base interactions energy: -9.491 where: short stacking energy: -8.420 Base-Backbone interact. energy: -1.239 local terms energy: -21.767815 where: bonds (distance) C4'-P energy: -5.230 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -33.574006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.574006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.574006 (E_RNA) where: Base-Base interactions energy: -6.282 where: short stacking energy: -6.282 Base-Backbone interact. energy: -0.036 local terms energy: -27.255687 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.191 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: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -30.244281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.244281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.244281 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: 0.853 local terms energy: -22.601419 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -3.833 flat angles C4'-P-C4' energy: -7.070 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -0.754 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -31.633320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.633320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.633320 (E_RNA) where: Base-Base interactions energy: -6.942 where: short stacking energy: -6.942 Base-Backbone interact. energy: -0.000 local terms energy: -24.690662 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -1.967 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: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -28.478539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.478539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.478539 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.004 local terms energy: -20.767386 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -1.706 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: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -29.353440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.353440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.353440 (E_RNA) where: Base-Base interactions energy: -10.877 where: short stacking energy: -10.877 Base-Backbone interact. energy: -0.059 local terms energy: -18.417751 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -0.490 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -30.686017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.686017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.686017 (E_RNA) where: Base-Base interactions energy: -8.853 where: short stacking energy: -8.853 Base-Backbone interact. energy: -0.027 local terms energy: -21.806895 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -2.614 tors. eta vs tors. theta energy: 0.756 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: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -42.303154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.303154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.303154 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -12.421 Base-Backbone interact. energy: -0.000 local terms energy: -29.882374 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -39.352095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.352095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.352095 (E_RNA) where: Base-Base interactions energy: -11.885 where: short stacking energy: -11.885 Base-Backbone interact. energy: -0.415 local terms energy: -27.052052 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -34.846828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.846828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.846828 (E_RNA) where: Base-Base interactions energy: -11.916 where: short stacking energy: -11.916 Base-Backbone interact. energy: -0.007 local terms energy: -22.923819 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -0.127 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: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -32.899543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.899543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.899543 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.245 local terms energy: -21.643570 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -36.765673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.765673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.765673 (E_RNA) where: Base-Base interactions energy: -12.232 where: short stacking energy: -12.232 Base-Backbone interact. energy: 0.157 local terms energy: -24.690650 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -4.740 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -33.020409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.020409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.020409 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.185 local terms energy: -25.513923 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -32.584248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.584248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.584248 (E_RNA) where: Base-Base interactions energy: -8.591 where: short stacking energy: -8.591 Base-Backbone interact. energy: -0.002 local terms energy: -23.991731 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -1.552 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: 422 Temperature: 1.250000 Total energy: -32.308164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.308164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.308164 (E_RNA) where: Base-Base interactions energy: -5.936 where: short stacking energy: -5.936 Base-Backbone interact. energy: -0.011 local terms energy: -26.360915 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -3.199 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -28.770170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.770170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.770170 (E_RNA) where: Base-Base interactions energy: -3.129 where: short stacking energy: -3.129 Base-Backbone interact. energy: -0.000 local terms energy: -25.640980 where: bonds (distance) C4'-P energy: -3.827 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -25.820998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.820998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.820998 (E_RNA) where: Base-Base interactions energy: -3.114 where: short stacking energy: -3.114 Base-Backbone interact. energy: -0.000 local terms energy: -22.706735 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -0.399 tors. eta vs tors. theta energy: -1.406 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: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -43.060927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.060927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.060927 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.001 local terms energy: -27.706220 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -45.142493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.142493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.142493 (E_RNA) where: Base-Base interactions energy: -15.046 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.000 local terms energy: -30.096749 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -34.510044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.510044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.510044 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.899 local terms energy: -24.162790 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.562 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -34.364545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.364545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.364545 (E_RNA) where: Base-Base interactions energy: -11.549 where: short stacking energy: -10.229 Base-Backbone interact. energy: -0.016 local terms energy: -22.799221 where: bonds (distance) C4'-P energy: -5.148 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -38.029471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.029471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.029471 (E_RNA) where: Base-Base interactions energy: -15.053 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.001 local terms energy: -22.974545 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -0.705 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -33.556479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556479 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.014 Base-Backbone interact. energy: -0.184 local terms energy: -24.283889 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -1.810 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: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -33.858563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.858563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.858563 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.540 Base-Backbone interact. energy: -0.054 local terms energy: -25.263703 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -32.401142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.401142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.401142 (E_RNA) where: Base-Base interactions energy: -6.859 where: short stacking energy: -6.859 Base-Backbone interact. energy: -0.018 local terms energy: -25.524001 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -0.642 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: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -28.631450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.631450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.631450 (E_RNA) where: Base-Base interactions energy: -12.060 where: short stacking energy: -12.060 Base-Backbone interact. energy: 0.040 local terms energy: -16.610743 where: bonds (distance) C4'-P energy: -4.875 bonds (distance) P-C4' energy: -5.004 flat angles C4'-P-C4' energy: 1.666 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -26.623001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.623001 (E_RNA) where: Base-Base interactions energy: -3.488 where: short stacking energy: -3.488 Base-Backbone interact. energy: 0.097 local terms energy: -23.232653 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: 1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -42.386744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.386744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.386744 (E_RNA) where: Base-Base interactions energy: -13.815 where: short stacking energy: -13.815 Base-Backbone interact. energy: -0.002 local terms energy: -28.570348 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -4.068 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: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -36.427838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.427838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.427838 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.000 local terms energy: -28.173055 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -34.432807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.432807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.432807 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.059 local terms energy: -27.346590 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -38.089232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.089232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.089232 (E_RNA) where: Base-Base interactions energy: -10.866 where: short stacking energy: -10.905 Base-Backbone interact. energy: 0.337 local terms energy: -27.560067 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -30.999187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999187 (E_RNA) where: Base-Base interactions energy: -9.934 where: short stacking energy: -9.934 Base-Backbone interact. energy: -0.063 local terms energy: -21.001496 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: 0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -31.370928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.370928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.370928 (E_RNA) where: Base-Base interactions energy: -8.958 where: short stacking energy: -8.958 Base-Backbone interact. energy: -0.001 local terms energy: -22.411954 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -4.934 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -26.783749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.783749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.783749 (E_RNA) where: Base-Base interactions energy: -3.904 where: short stacking energy: -3.904 Base-Backbone interact. energy: -0.082 local terms energy: -22.797151 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -0.668 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: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -28.881665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.881665 (E_RNA) where: Base-Base interactions energy: -7.435 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.012 local terms energy: -21.434613 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: 0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -33.069380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.069380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.069380 (E_RNA) where: Base-Base interactions energy: -9.278 where: short stacking energy: -9.278 Base-Backbone interact. energy: -0.023 local terms energy: -23.768367 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -1.474 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: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -27.417666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.417666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.417666 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: -0.138 local terms energy: -20.195735 where: bonds (distance) C4'-P energy: -4.808 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -0.059 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: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -38.884111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884111 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.000 local terms energy: -25.582642 where: bonds (distance) C4'-P energy: -5.102 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -34.634655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.634655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.634655 (E_RNA) where: Base-Base interactions energy: -11.332 where: short stacking energy: -11.332 Base-Backbone interact. energy: -0.040 local terms energy: -23.261893 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: 0.143 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: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -36.668093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.668093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.668093 (E_RNA) where: Base-Base interactions energy: -12.761 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.122 local terms energy: -23.785787 where: bonds (distance) C4'-P energy: -4.932 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -1.883 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -36.290920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.290920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.290920 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.002 local terms energy: -24.871216 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -2.467 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: 5, replica: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -39.442538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.442538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.442538 (E_RNA) where: Base-Base interactions energy: -11.725 where: short stacking energy: -11.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.716248 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -4.718 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: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -33.659905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.659905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.659905 (E_RNA) where: Base-Base interactions energy: -8.553 where: short stacking energy: -8.553 Base-Backbone interact. energy: 0.277 local terms energy: -25.383444 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -0.845 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: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -31.662747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.662747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.662747 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.004 local terms energy: -23.091152 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -0.043 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: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -37.074741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.074741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.074741 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.000 local terms energy: -24.038961 where: bonds (distance) C4'-P energy: -3.835 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -27.009650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.009650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.009650 (E_RNA) where: Base-Base interactions energy: -8.201 where: short stacking energy: -7.145 Base-Backbone interact. energy: -0.111 local terms energy: -18.697351 where: bonds (distance) C4'-P energy: -1.679 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -0.764 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: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -27.950233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950233 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.000 local terms energy: -18.182765 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -0.591 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -42.292103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.292103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.292103 (E_RNA) where: Base-Base interactions energy: -10.833 where: short stacking energy: -10.833 Base-Backbone interact. energy: -0.779 local terms energy: -30.680274 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -33.558648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.558648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.558648 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.027 local terms energy: -26.782625 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -5.094 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: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -35.314863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.314863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.314863 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -10.562 Base-Backbone interact. energy: -0.001 local terms energy: -24.752142 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -38.241608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.241608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.241608 (E_RNA) where: Base-Base interactions energy: -14.063 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.002 local terms energy: -24.176374 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -0.086 tors. eta vs tors. theta energy: -5.177 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: 426 Temperature: 1.100000 Total energy: -35.411075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.411075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.411075 (E_RNA) where: Base-Base interactions energy: -7.851 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.002 local terms energy: -27.558047 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -29.078283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078283 (E_RNA) where: Base-Base interactions energy: -7.434 where: short stacking energy: -7.434 Base-Backbone interact. energy: -0.018 local terms energy: -21.626621 where: bonds (distance) C4'-P energy: -4.899 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: 0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -30.919916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.919916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.919916 (E_RNA) where: Base-Base interactions energy: -5.803 where: short stacking energy: -5.803 Base-Backbone interact. energy: -0.261 local terms energy: -24.855005 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -0.692 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: 8, replica: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -33.970765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.970765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.970765 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.003 local terms energy: -26.695585 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -3.349 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: 426 Temperature: 1.300000 Total energy: -26.573871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.573871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.573871 (E_RNA) where: Base-Base interactions energy: -4.198 where: short stacking energy: -4.198 Base-Backbone interact. energy: -0.006 local terms energy: -22.369990 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -25.562629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.562629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.562629 (E_RNA) where: Base-Base interactions energy: -7.741 where: short stacking energy: -6.322 Base-Backbone interact. energy: -0.540 local terms energy: -17.281466 where: bonds (distance) C4'-P energy: -1.218 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -0.613 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: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -39.179148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.179148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.179148 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -14.084 Base-Backbone interact. energy: -0.000 local terms energy: -25.094666 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -36.188212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.188212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.188212 (E_RNA) where: Base-Base interactions energy: -14.090 where: short stacking energy: -14.090 Base-Backbone interact. energy: -0.092 local terms energy: -22.006982 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -1.756 tors. eta vs tors. theta energy: -1.704 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: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -39.976295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.976295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.976295 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.000 local terms energy: -26.952947 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -33.410057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410057 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.036 local terms energy: -26.246363 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -2.272 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: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -36.574659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.574659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.574659 (E_RNA) where: Base-Base interactions energy: -11.092 where: short stacking energy: -11.092 Base-Backbone interact. energy: -0.062 local terms energy: -25.421289 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -32.940938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.940938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.940938 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.000 local terms energy: -25.281075 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -35.175803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.175803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.175803 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -12.610 Base-Backbone interact. energy: -0.049 local terms energy: -22.516532 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -1.748 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: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -32.561339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.561339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.561339 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.001 local terms energy: -23.887300 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -33.286777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.286777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.286777 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.002 local terms energy: -23.387116 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -27.319981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.319981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.319981 (E_RNA) where: Base-Base interactions energy: -7.558 where: short stacking energy: -7.558 Base-Backbone interact. energy: -0.000 local terms energy: -19.762159 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.777 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: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -35.671787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.671787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.671787 (E_RNA) where: Base-Base interactions energy: -12.335 where: short stacking energy: -11.426 Base-Backbone interact. energy: -0.111 local terms energy: -23.226457 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -1.035 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: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -38.522054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522054 (E_RNA) where: Base-Base interactions energy: -11.211 where: short stacking energy: -11.211 Base-Backbone interact. energy: -0.041 local terms energy: -27.270108 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.509 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -3.306 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: 428 Temperature: 1.000000 Total energy: -36.827568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.827568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.827568 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.006 local terms energy: -23.415664 where: bonds (distance) C4'-P energy: -5.475 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -2.256 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: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -37.690755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.690755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.690755 (E_RNA) where: Base-Base interactions energy: -11.326 where: short stacking energy: -11.326 Base-Backbone interact. energy: -0.001 local terms energy: -26.363180 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -37.023991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023991 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.036 local terms energy: -23.478575 where: bonds (distance) C4'-P energy: -5.227 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -2.530 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: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -31.459937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.459937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.459937 (E_RNA) where: Base-Base interactions energy: -6.620 where: short stacking energy: -6.620 Base-Backbone interact. energy: -0.087 local terms energy: -24.753338 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.289 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: 428 Temperature: 1.200000 Total energy: -34.138075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.138075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.138075 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.000 local terms energy: -22.780042 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -5.949 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -29.639243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.639243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.639243 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -10.695 Base-Backbone interact. energy: -0.049 local terms energy: -15.470627 where: bonds (distance) C4'-P energy: -4.192 bonds (distance) P-C4' energy: -4.515 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -0.967 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -30.902561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.902561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.902561 (E_RNA) where: Base-Base interactions energy: -3.324 where: short stacking energy: -3.324 Base-Backbone interact. energy: 0.915 local terms energy: -28.493253 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.682 tors. eta vs tors. theta energy: -1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -27.377357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377357 (E_RNA) where: Base-Base interactions energy: -3.449 where: short stacking energy: -3.449 Base-Backbone interact. energy: 0.299 local terms energy: -24.227935 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.618 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: 0.796 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: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -39.455274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.455274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.455274 (E_RNA) where: Base-Base interactions energy: -13.446 where: short stacking energy: -11.361 Base-Backbone interact. energy: -0.072 local terms energy: -25.937475 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -36.524267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.524267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.524267 (E_RNA) where: Base-Base interactions energy: -10.155 where: short stacking energy: -10.155 Base-Backbone interact. energy: -0.002 local terms energy: -26.367304 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -0.139 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -38.247410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.247410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.247410 (E_RNA) where: Base-Base interactions energy: -12.660 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.000 local terms energy: -25.587026 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -33.472577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.472577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.472577 (E_RNA) where: Base-Base interactions energy: -8.880 where: short stacking energy: -8.880 Base-Backbone interact. energy: -1.241 local terms energy: -23.351892 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: 0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -33.375132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375132 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -5.251 Base-Backbone interact. energy: -0.020 local terms energy: -25.827547 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -2.364 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: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -32.302824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.302824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.302824 (E_RNA) where: Base-Base interactions energy: -9.400 where: short stacking energy: -9.400 Base-Backbone interact. energy: -0.024 local terms energy: -22.878503 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -31.658506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.658506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.658506 (E_RNA) where: Base-Base interactions energy: -7.413 where: short stacking energy: -7.413 Base-Backbone interact. energy: -0.001 local terms energy: -24.244600 where: bonds (distance) C4'-P energy: -6.229 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: 1.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -31.380361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.380361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.380361 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.030 local terms energy: -20.894739 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -28.709376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.709376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.709376 (E_RNA) where: Base-Base interactions energy: -3.637 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.101 local terms energy: -24.971575 where: bonds (distance) C4'-P energy: -6.249 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -1.440 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: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -26.874109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.874109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.874109 (E_RNA) where: Base-Base interactions energy: -5.248 where: short stacking energy: -5.064 Base-Backbone interact. energy: -1.003 local terms energy: -20.622525 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -41.087811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087811 (E_RNA) where: Base-Base interactions energy: -12.333 where: short stacking energy: -12.333 Base-Backbone interact. energy: -0.026 local terms energy: -28.728043 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -39.620684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.620684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.620684 (E_RNA) where: Base-Base interactions energy: -12.132 where: short stacking energy: -12.132 Base-Backbone interact. energy: -0.000 local terms energy: -27.488208 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -35.252351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.252351 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.012 local terms energy: -28.087590 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -31.754085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.754085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.754085 (E_RNA) where: Base-Base interactions energy: -6.522 where: short stacking energy: -6.522 Base-Backbone interact. energy: -0.097 local terms energy: -25.134705 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -33.878241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.878241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.878241 (E_RNA) where: Base-Base interactions energy: -6.269 where: short stacking energy: -6.269 Base-Backbone interact. energy: -0.002 local terms energy: -27.607575 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -31.250923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.250923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.250923 (E_RNA) where: Base-Base interactions energy: -5.204 where: short stacking energy: -5.504 Base-Backbone interact. energy: -0.024 local terms energy: -26.023242 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -0.880 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: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -27.763555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.763555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.763555 (E_RNA) where: Base-Base interactions energy: -5.321 where: short stacking energy: -5.321 Base-Backbone interact. energy: -0.124 local terms energy: -22.318502 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -31.740092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.740092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.740092 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.000 local terms energy: -21.284143 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -4.501 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -33.406939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.406939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.406939 (E_RNA) where: Base-Base interactions energy: -6.920 where: short stacking energy: -6.920 Base-Backbone interact. energy: -0.000 local terms energy: -26.486509 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -5.957 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: 10, replica: 6 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -30.036987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.036987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.036987 (E_RNA) where: Base-Base interactions energy: -7.414 where: short stacking energy: -7.414 Base-Backbone interact. energy: -0.133 local terms energy: -22.490371 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: 0.126 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: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -38.588366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.588366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.588366 (E_RNA) where: Base-Base interactions energy: -16.297 where: short stacking energy: -16.297 Base-Backbone interact. energy: -0.028 local terms energy: -22.263752 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -2.514 tors. eta vs tors. theta energy: -1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -40.468789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468789 (E_RNA) where: Base-Base interactions energy: -13.910 where: short stacking energy: -13.759 Base-Backbone interact. energy: -0.090 local terms energy: -26.468409 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -34.136876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.136876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.136876 (E_RNA) where: Base-Base interactions energy: -9.142 where: short stacking energy: -9.142 Base-Backbone interact. energy: -0.000 local terms energy: -24.994406 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -3.971 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -40.119258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.119258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.119258 (E_RNA) where: Base-Base interactions energy: -10.764 where: short stacking energy: -10.764 Base-Backbone interact. energy: -0.000 local terms energy: -29.355093 where: bonds (distance) C4'-P energy: -4.837 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -37.649739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.649739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.649739 (E_RNA) where: Base-Base interactions energy: -9.700 where: short stacking energy: -9.700 Base-Backbone interact. energy: -0.000 local terms energy: -27.949495 where: bonds (distance) C4'-P energy: -5.302 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -30.226630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.226630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.226630 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.068 local terms energy: -23.080530 where: bonds (distance) C4'-P energy: -5.426 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -0.849 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -30.408398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.408398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.408398 (E_RNA) where: Base-Base interactions energy: -5.976 where: short stacking energy: -5.976 Base-Backbone interact. energy: -0.000 local terms energy: -24.432645 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -29.466534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.466534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.466534 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: -6.226 Base-Backbone interact. energy: -0.005 local terms energy: -23.235326 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -0.900 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: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -32.320116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.320116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.320116 (E_RNA) where: Base-Base interactions energy: -6.248 where: short stacking energy: -6.248 Base-Backbone interact. energy: -0.013 local terms energy: -26.059552 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -28.805111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.805111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.805111 (E_RNA) where: Base-Base interactions energy: -6.428 where: short stacking energy: -6.428 Base-Backbone interact. energy: -0.000 local terms energy: -22.376773 where: bonds (distance) C4'-P energy: -4.482 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -3.840 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -43.033557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.033557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.033557 (E_RNA) where: Base-Base interactions energy: -14.909 where: short stacking energy: -14.909 Base-Backbone interact. energy: -0.000 local terms energy: -28.124890 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -38.073799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.073799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.073799 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.187 local terms energy: -23.826930 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -36.959494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.959494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.959494 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: -0.006 local terms energy: -26.817327 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -1.984 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: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -34.772023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.772023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.772023 (E_RNA) where: Base-Base interactions energy: -6.609 where: short stacking energy: -5.232 Base-Backbone interact. energy: -0.005 local terms energy: -28.158313 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -2.972 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: 432 Temperature: 1.100000 Total energy: -30.566154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.566154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.566154 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.000 local terms energy: -23.370433 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -33.356957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.356957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.356957 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.070 local terms energy: -25.078110 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -27.599742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.599742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.599742 (E_RNA) where: Base-Base interactions energy: -6.350 where: short stacking energy: -6.350 Base-Backbone interact. energy: -0.040 local terms energy: -21.209567 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: 1.419 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: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -29.404734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.404734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.404734 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -8.357 Base-Backbone interact. energy: -0.121 local terms energy: -20.926852 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -5.985 tors. eta vs tors. theta energy: 2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -27.465527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465527 (E_RNA) where: Base-Base interactions energy: -4.270 where: short stacking energy: -4.270 Base-Backbone interact. energy: 0.411 local terms energy: -23.606897 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -26.921137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.921137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.921137 (E_RNA) where: Base-Base interactions energy: -3.921 where: short stacking energy: -3.921 Base-Backbone interact. energy: -0.056 local terms energy: -22.943796 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: 1.485 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: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -37.857501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.857501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.857501 (E_RNA) where: Base-Base interactions energy: -11.611 where: short stacking energy: -11.611 Base-Backbone interact. energy: -0.002 local terms energy: -26.244826 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -4.158 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: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -38.289224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.289224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.289224 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.000 local terms energy: -26.078887 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -34.821517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.821517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.821517 (E_RNA) where: Base-Base interactions energy: -11.844 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.000 local terms energy: -22.977379 where: bonds (distance) C4'-P energy: -0.771 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -36.876507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.876507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.876507 (E_RNA) where: Base-Base interactions energy: -9.216 where: short stacking energy: -9.216 Base-Backbone interact. energy: -0.000 local terms energy: -27.660195 where: bonds (distance) C4'-P energy: -3.418 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -3.927 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -33.580850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.580850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.580850 (E_RNA) where: Base-Base interactions energy: -9.361 where: short stacking energy: -9.361 Base-Backbone interact. energy: -0.048 local terms energy: -24.172558 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -1.919 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: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -29.711807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.711807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.711807 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.002 local terms energy: -23.449690 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -30.836832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.836832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.836832 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.015 local terms energy: -23.932829 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -0.752 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: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -31.833515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.833515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.833515 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.161 local terms energy: -20.869416 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: 0.955 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: 1 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -30.789689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.789689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.789689 (E_RNA) where: Base-Base interactions energy: -8.533 where: short stacking energy: -8.533 Base-Backbone interact. energy: -0.003 local terms energy: -22.253383 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -24.969008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.969008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.969008 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -7.191 Base-Backbone interact. energy: -0.001 local terms energy: -17.776708 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: 0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -44.614639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.614639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.614639 (E_RNA) where: Base-Base interactions energy: -16.269 where: short stacking energy: -16.269 Base-Backbone interact. energy: -0.092 local terms energy: -28.253537 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -35.273238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.273238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.273238 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.023 local terms energy: -25.298200 where: bonds (distance) C4'-P energy: -5.318 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -1.758 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: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -37.268757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.268757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.268757 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.008 local terms energy: -25.490556 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -35.428762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.428762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.428762 (E_RNA) where: Base-Base interactions energy: -8.641 where: short stacking energy: -8.641 Base-Backbone interact. energy: -0.233 local terms energy: -26.554325 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -36.787552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.787552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.787552 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.044 local terms energy: -26.059458 where: bonds (distance) C4'-P energy: -5.380 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -33.943020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.943020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.943020 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: 0.195 local terms energy: -22.695482 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -30.954356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.954356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.954356 (E_RNA) where: Base-Base interactions energy: -8.761 where: short stacking energy: -8.761 Base-Backbone interact. energy: -0.043 local terms energy: -22.150361 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -33.273256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.273256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.273256 (E_RNA) where: Base-Base interactions energy: -11.676 where: short stacking energy: -11.676 Base-Backbone interact. energy: -0.000 local terms energy: -21.597210 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.628 tors. eta vs tors. theta energy: -0.850 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: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -37.573984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.573984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.573984 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.000 local terms energy: -26.639919 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -29.967334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.967334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.967334 (E_RNA) where: Base-Base interactions energy: -2.819 where: short stacking energy: -2.819 Base-Backbone interact. energy: -0.003 local terms energy: -27.145523 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -41.027449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.027449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.027449 (E_RNA) where: Base-Base interactions energy: -14.393 where: short stacking energy: -14.393 Base-Backbone interact. energy: -0.011 local terms energy: -26.623656 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -41.062117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.062117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.062117 (E_RNA) where: Base-Base interactions energy: -11.346 where: short stacking energy: -8.520 Base-Backbone interact. energy: -0.008 local terms energy: -29.708290 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -5.204 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -30.933122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.933122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.933122 (E_RNA) where: Base-Base interactions energy: -3.897 where: short stacking energy: -3.897 Base-Backbone interact. energy: -0.003 local terms energy: -27.033316 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -34.291756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.291756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.291756 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.072 local terms energy: -24.685534 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -34.580933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.580933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.580933 (E_RNA) where: Base-Base interactions energy: -8.474 where: short stacking energy: -8.474 Base-Backbone interact. energy: -0.091 local terms energy: -26.016323 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -2.438 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: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -32.144549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.144549 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.011 local terms energy: -24.524265 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -1.137 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: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -30.546642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.546642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.546642 (E_RNA) where: Base-Base interactions energy: -8.536 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.101 local terms energy: -21.908772 where: bonds (distance) C4'-P energy: -4.358 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: 1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -30.775970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.775970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.775970 (E_RNA) where: Base-Base interactions energy: -8.391 where: short stacking energy: -8.391 Base-Backbone interact. energy: -0.012 local terms energy: -22.372528 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -30.745939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.745939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.745939 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.016 local terms energy: -22.967963 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: 0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -28.939528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.939528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.939528 (E_RNA) where: Base-Base interactions energy: -6.901 where: short stacking energy: -6.901 Base-Backbone interact. energy: -0.010 local terms energy: -22.028681 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -36.910221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.910221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.910221 (E_RNA) where: Base-Base interactions energy: -11.316 where: short stacking energy: -11.316 Base-Backbone interact. energy: -0.183 local terms energy: -25.411028 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -1.949 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: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -34.533319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.533319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.533319 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.165 local terms energy: -24.605352 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -36.650056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650056 (E_RNA) where: Base-Base interactions energy: -8.792 where: short stacking energy: -8.792 Base-Backbone interact. energy: -0.025 local terms energy: -27.832766 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -38.692516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.692516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.692516 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.001 local terms energy: -26.297793 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -29.460518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.460518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.460518 (E_RNA) where: Base-Base interactions energy: -3.946 where: short stacking energy: -3.946 Base-Backbone interact. energy: -0.033 local terms energy: -25.481574 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -30.264537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.264537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.264537 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: -0.060 local terms energy: -20.620969 where: bonds (distance) C4'-P energy: -7.325 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -36.210982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.210982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.210982 (E_RNA) where: Base-Base interactions energy: -9.105 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.687 local terms energy: -26.418373 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -37.665154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.665154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.665154 (E_RNA) where: Base-Base interactions energy: -12.781 where: short stacking energy: -12.781 Base-Backbone interact. energy: -0.000 local terms energy: -24.884175 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -4.685 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: 1 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -30.064418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.064418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.064418 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.001 local terms energy: -16.367164 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -2.622 flat angles P-C4'-P energy: -0.739 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -27.939876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.939876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.939876 (E_RNA) where: Base-Base interactions energy: -3.194 where: short stacking energy: -3.194 Base-Backbone interact. energy: -0.179 local terms energy: -24.567214 where: bonds (distance) C4'-P energy: -6.001 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -2.518 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: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -39.610405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.610405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.610405 (E_RNA) where: Base-Base interactions energy: -10.596 where: short stacking energy: -10.596 Base-Backbone interact. energy: -0.000 local terms energy: -29.013886 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -45.890323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.890323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.890323 (E_RNA) where: Base-Base interactions energy: -14.957 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.009 local terms energy: -30.924801 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -4.804 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: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -35.179432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.179432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.179432 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.005 local terms energy: -22.438465 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -35.053795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.053795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.053795 (E_RNA) where: Base-Base interactions energy: -8.800 where: short stacking energy: -8.800 Base-Backbone interact. energy: -0.094 local terms energy: -26.160283 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -5.424 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -35.467556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.467556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.467556 (E_RNA) where: Base-Base interactions energy: -10.456 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.115 local terms energy: -24.896540 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -31.517131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.517131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.517131 (E_RNA) where: Base-Base interactions energy: -6.488 where: short stacking energy: -5.023 Base-Backbone interact. energy: -0.314 local terms energy: -24.715720 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -34.892843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.892843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.892843 (E_RNA) where: Base-Base interactions energy: -8.311 where: short stacking energy: -8.311 Base-Backbone interact. energy: -1.236 local terms energy: -25.345930 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -1.101 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: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -31.385683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.385683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.385683 (E_RNA) where: Base-Base interactions energy: -9.385 where: short stacking energy: -9.385 Base-Backbone interact. energy: -0.000 local terms energy: -22.000427 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.298 tors. eta vs tors. theta energy: -4.541 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: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -30.045385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.045385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.045385 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.128 local terms energy: -21.377992 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.428 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: 0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -27.237150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.237150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.237150 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.100 local terms energy: -19.757559 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -5.648 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: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -44.794659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.794659 (E_RNA) where: Base-Base interactions energy: -14.902 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.000 local terms energy: -29.892941 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.553 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -37.395483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.395483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.395483 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -11.348 Base-Backbone interact. energy: -0.024 local terms energy: -26.023731 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -38.924571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.924571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.924571 (E_RNA) where: Base-Base interactions energy: -11.870 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.010 local terms energy: -27.045125 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.301 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -38.335019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.335019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.335019 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.034 local terms energy: -28.539676 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -4.685 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: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -43.834482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.834482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.834482 (E_RNA) where: Base-Base interactions energy: -14.403 where: short stacking energy: -14.403 Base-Backbone interact. energy: -0.000 local terms energy: -29.430994 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -30.377778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.377778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.377778 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -7.002 Base-Backbone interact. energy: -0.003 local terms energy: -23.949973 where: bonds (distance) C4'-P energy: -6.588 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -30.002273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.002273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.002273 (E_RNA) where: Base-Base interactions energy: -8.174 where: short stacking energy: -6.162 Base-Backbone interact. energy: -0.002 local terms energy: -21.825778 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.945 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: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -30.583877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.583877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.583877 (E_RNA) where: Base-Base interactions energy: -9.094 where: short stacking energy: -9.094 Base-Backbone interact. energy: -0.114 local terms energy: -21.375831 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -3.057 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -28.332146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.332146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.332146 (E_RNA) where: Base-Base interactions energy: -5.139 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.086 local terms energy: -23.106539 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -0.249 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: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -28.865381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.865381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.865381 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.023 local terms energy: -22.882685 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -43.134448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.134448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.134448 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -29.274768 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -3.738 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: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -42.741629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.741629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.741629 (E_RNA) where: Base-Base interactions energy: -15.119 where: short stacking energy: -15.119 Base-Backbone interact. energy: -0.273 local terms energy: -27.349048 where: bonds (distance) C4'-P energy: -5.363 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -36.797092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.797092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.797092 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.004 local terms energy: -28.918539 where: bonds (distance) C4'-P energy: -5.139 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -35.745071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.745071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.745071 (E_RNA) where: Base-Base interactions energy: -8.721 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.008 local terms energy: -27.015867 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -34.572943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.572943 (E_RNA) where: Base-Base interactions energy: -8.540 where: short stacking energy: -8.540 Base-Backbone interact. energy: -0.250 local terms energy: -25.782494 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -34.250764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.250764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.250764 (E_RNA) where: Base-Base interactions energy: -8.026 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.001 local terms energy: -26.223772 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -2.388 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: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -31.377991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.377991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.377991 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.087 local terms energy: -23.618323 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -5.079 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -2.136 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: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -30.539885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.539885 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.017 local terms energy: -23.530029 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -2.035 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: 2 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -28.879201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.879201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.879201 (E_RNA) where: Base-Base interactions energy: -4.081 where: short stacking energy: -4.081 Base-Backbone interact. energy: -0.001 local terms energy: -24.797630 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -5.745 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -3.539 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: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -30.476636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.476636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.476636 (E_RNA) where: Base-Base interactions energy: -3.784 where: short stacking energy: -3.784 Base-Backbone interact. energy: -1.018 local terms energy: -25.674638 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -0.827 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: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -42.554190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.554190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.554190 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.030 local terms energy: -27.545640 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -36.250468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.250468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.250468 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.083 local terms energy: -27.325456 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -3.381 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: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -38.617301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617301 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -12.100 Base-Backbone interact. energy: -0.002 local terms energy: -26.515122 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -31.301897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301897 (E_RNA) where: Base-Base interactions energy: -4.600 where: short stacking energy: -4.600 Base-Backbone interact. energy: -0.000 local terms energy: -26.701840 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -2.897 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: 5 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -34.230971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.230971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.230971 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.083 local terms energy: -24.106954 where: bonds (distance) C4'-P energy: -5.023 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -34.272655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.272655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.272655 (E_RNA) where: Base-Base interactions energy: -9.867 where: short stacking energy: -5.918 Base-Backbone interact. energy: -0.117 local terms energy: -24.289237 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -30.924925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924925 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.021 local terms energy: -23.734833 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: 0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -30.332716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.332716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.332716 (E_RNA) where: Base-Base interactions energy: -5.490 where: short stacking energy: -4.062 Base-Backbone interact. energy: -0.071 local terms energy: -24.771089 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: 1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -27.407197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.407197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.407197 (E_RNA) where: Base-Base interactions energy: -7.292 where: short stacking energy: -7.292 Base-Backbone interact. energy: -0.005 local terms energy: -20.110754 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -4.835 flat angles C4'-P-C4' energy: -3.329 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -27.655441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.655441 (E_RNA) where: Base-Base interactions energy: -2.502 where: short stacking energy: -2.502 Base-Backbone interact. energy: -0.001 local terms energy: -25.152257 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -5.811 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -0.489 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: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -42.242502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.242502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.242502 (E_RNA) where: Base-Base interactions energy: -11.568 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.001 local terms energy: -30.673682 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.021 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -33.805386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.805386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.805386 (E_RNA) where: Base-Base interactions energy: -8.657 where: short stacking energy: -8.657 Base-Backbone interact. energy: -0.091 local terms energy: -25.058066 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: 0.171 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: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -38.639267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.639267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.639267 (E_RNA) where: Base-Base interactions energy: -16.431 where: short stacking energy: -16.431 Base-Backbone interact. energy: -0.007 local terms energy: -22.201214 where: bonds (distance) C4'-P energy: -3.116 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -3.128 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: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -35.526981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.526981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.526981 (E_RNA) where: Base-Base interactions energy: -14.111 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.162 local terms energy: -21.253980 where: bonds (distance) C4'-P energy: -3.496 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: 0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -32.315118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.315118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.315118 (E_RNA) where: Base-Base interactions energy: -7.232 where: short stacking energy: -7.232 Base-Backbone interact. energy: -0.000 local terms energy: -25.082593 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -4.480 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -31.050373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.050373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.050373 (E_RNA) where: Base-Base interactions energy: -9.210 where: short stacking energy: -9.210 Base-Backbone interact. energy: -0.014 local terms energy: -21.826143 where: bonds (distance) C4'-P energy: -3.463 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -31.640909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.640909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.640909 (E_RNA) where: Base-Base interactions energy: -8.165 where: short stacking energy: -8.165 Base-Backbone interact. energy: -0.016 local terms energy: -23.460499 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -28.890316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890316 (E_RNA) where: Base-Base interactions energy: -6.666 where: short stacking energy: -5.988 Base-Backbone interact. energy: -0.000 local terms energy: -22.223764 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: 0.495 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: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -29.596581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.596581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.596581 (E_RNA) where: Base-Base interactions energy: -9.162 where: short stacking energy: -9.162 Base-Backbone interact. energy: -0.000 local terms energy: -20.433970 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -0.880 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: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -27.999577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.999577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.999577 (E_RNA) where: Base-Base interactions energy: -8.237 where: short stacking energy: -8.237 Base-Backbone interact. energy: -0.291 local terms energy: -19.472242 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: 2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -39.891867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.891867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.891867 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.002 local terms energy: -25.388735 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -41.085673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.085673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.085673 (E_RNA) where: Base-Base interactions energy: -12.278 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.000 local terms energy: -28.807636 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -31.170304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.170304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.170304 (E_RNA) where: Base-Base interactions energy: -6.135 where: short stacking energy: -6.135 Base-Backbone interact. energy: 0.130 local terms energy: -25.165726 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -1.350 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: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -32.143476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.143476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.143476 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: 1.091 local terms energy: -26.083804 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -1.213 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: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -35.423075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423075 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.058 local terms energy: -24.128645 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: 0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -35.981076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.981076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.981076 (E_RNA) where: Base-Base interactions energy: -12.987 where: short stacking energy: -12.987 Base-Backbone interact. energy: -0.045 local terms energy: -22.948903 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -5.135 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: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -37.057658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.057658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.057658 (E_RNA) where: Base-Base interactions energy: -11.734 where: short stacking energy: -11.734 Base-Backbone interact. energy: -0.003 local terms energy: -25.320581 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -32.196043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.196043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.196043 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.001 local terms energy: -24.257410 where: bonds (distance) C4'-P energy: -5.835 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -28.002919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.002919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.002919 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.069 local terms energy: -20.555485 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -31.588079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.588079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.588079 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.078 local terms energy: -24.760628 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -42.821746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.821746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.821746 (E_RNA) where: Base-Base interactions energy: -14.146 where: short stacking energy: -14.146 Base-Backbone interact. energy: -0.000 local terms energy: -28.676177 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -35.775518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.775518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.775518 (E_RNA) where: Base-Base interactions energy: -11.033 where: short stacking energy: -11.033 Base-Backbone interact. energy: -0.017 local terms energy: -24.726480 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -34.345759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.345759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.345759 (E_RNA) where: Base-Base interactions energy: -12.596 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.010 local terms energy: -21.739570 where: bonds (distance) C4'-P energy: -3.959 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -4.676 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: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -36.736378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.736378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.736378 (E_RNA) where: Base-Base interactions energy: -12.206 where: short stacking energy: -12.206 Base-Backbone interact. energy: -0.021 local terms energy: -24.509397 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -32.296867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.296867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.296867 (E_RNA) where: Base-Base interactions energy: -9.958 where: short stacking energy: -8.347 Base-Backbone interact. energy: -0.004 local terms energy: -22.334384 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -31.975168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975168 (E_RNA) where: Base-Base interactions energy: -9.711 where: short stacking energy: -9.711 Base-Backbone interact. energy: -0.035 local terms energy: -22.230027 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.545 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -2.794 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -32.043432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.043432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.043432 (E_RNA) where: Base-Base interactions energy: -7.435 where: short stacking energy: -7.435 Base-Backbone interact. energy: -0.105 local terms energy: -24.503605 where: bonds (distance) C4'-P energy: -5.094 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -2.878 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: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -32.869508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.869508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.869508 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.003 local terms energy: -25.209261 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -29.054330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.054330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.054330 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -3.839 Base-Backbone interact. energy: -0.031 local terms energy: -22.132178 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: 0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -30.346384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.346384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.346384 (E_RNA) where: Base-Base interactions energy: -8.821 where: short stacking energy: -8.821 Base-Backbone interact. energy: -0.010 local terms energy: -21.515851 where: bonds (distance) C4'-P energy: -4.854 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -0.244 tors. eta vs tors. theta energy: -1.509 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: 444 Temperature: 0.900000 Total energy: -37.679989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.679989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.679989 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.043 local terms energy: -26.832417 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -40.537227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.537227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.537227 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.781 Base-Backbone interact. energy: -0.004 local terms energy: -27.594726 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -4.422 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: 3, replica: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -38.179645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.179645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.179645 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.039 local terms energy: -27.093678 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -2.226 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: 444 Temperature: 1.050000 Total energy: -33.196089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.196089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.196089 (E_RNA) where: Base-Base interactions energy: -7.631 where: short stacking energy: -7.631 Base-Backbone interact. energy: -0.000 local terms energy: -25.564801 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -43.636403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.636403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.636403 (E_RNA) where: Base-Base interactions energy: -15.863 where: short stacking energy: -14.980 Base-Backbone interact. energy: -0.008 local terms energy: -27.765688 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -32.426863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426863 (E_RNA) where: Base-Base interactions energy: -6.870 where: short stacking energy: -6.870 Base-Backbone interact. energy: -0.075 local terms energy: -25.481572 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -32.590965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.590965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.590965 (E_RNA) where: Base-Base interactions energy: -7.145 where: short stacking energy: -7.145 Base-Backbone interact. energy: -0.063 local terms energy: -25.382843 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -28.409461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.409461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.409461 (E_RNA) where: Base-Base interactions energy: -5.010 where: short stacking energy: -5.010 Base-Backbone interact. energy: -0.219 local terms energy: -23.180430 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -4.729 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: 9, replica: 2 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -26.383146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.383146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.383146 (E_RNA) where: Base-Base interactions energy: -3.644 where: short stacking energy: -3.644 Base-Backbone interact. energy: -0.172 local terms energy: -22.567852 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: 1.276 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: 444 Temperature: 1.350000 Total energy: -29.740645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.740645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.740645 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -8.550 Base-Backbone interact. energy: 0.318 local terms energy: -20.804898 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.991 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -1.363 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -38.219414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.219414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.219414 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -14.923 Base-Backbone interact. energy: -0.038 local terms energy: -23.258514 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: 0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -40.486398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.486398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.486398 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -12.343 Base-Backbone interact. energy: -0.001 local terms energy: -27.264767 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -29.999246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.999246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.999246 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.106 local terms energy: -22.957576 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -34.903113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.903113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.903113 (E_RNA) where: Base-Base interactions energy: -10.343 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.003 local terms energy: -24.557092 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -36.405018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.405018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.405018 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.094 local terms energy: -26.008626 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -37.414836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.414836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.414836 (E_RNA) where: Base-Base interactions energy: -11.552 where: short stacking energy: -10.474 Base-Backbone interact. energy: -0.084 local terms energy: -25.778594 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -31.549894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.549894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.549894 (E_RNA) where: Base-Base interactions energy: -6.773 where: short stacking energy: -6.773 Base-Backbone interact. energy: -0.025 local terms energy: -24.752028 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -29.054214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.054214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.054214 (E_RNA) where: Base-Base interactions energy: -6.161 where: short stacking energy: -6.161 Base-Backbone interact. energy: -0.026 local terms energy: -22.867376 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -26.941002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.941002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.941002 (E_RNA) where: Base-Base interactions energy: -6.321 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.000 local terms energy: -20.620010 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -30.182712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.182712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.182712 (E_RNA) where: Base-Base interactions energy: -6.480 where: short stacking energy: -6.480 Base-Backbone interact. energy: 0.086 local terms energy: -23.788631 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -40.882019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.882019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.882019 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.253 local terms energy: -29.030007 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -37.142286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142286 (E_RNA) where: Base-Base interactions energy: -9.754 where: short stacking energy: -9.754 Base-Backbone interact. energy: -1.113 local terms energy: -26.275076 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -35.182763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182763 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.000 local terms energy: -25.365647 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.986 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: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -38.783013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.783013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.783013 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.092 local terms energy: -25.850451 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -5.955 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -36.068313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.068313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.068313 (E_RNA) where: Base-Base interactions energy: -7.161 where: short stacking energy: -7.161 Base-Backbone interact. energy: -0.002 local terms energy: -28.904909 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -30.308685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.308685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.308685 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.001 local terms energy: -22.738384 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -34.557339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.557339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.557339 (E_RNA) where: Base-Base interactions energy: -9.852 where: short stacking energy: -9.852 Base-Backbone interact. energy: -0.000 local terms energy: -24.705751 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -3.663 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: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -29.622391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.622391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.622391 (E_RNA) where: Base-Base interactions energy: -6.029 where: short stacking energy: -6.029 Base-Backbone interact. energy: -0.016 local terms energy: -23.577294 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -29.085273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.085273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.085273 (E_RNA) where: Base-Base interactions energy: -5.967 where: short stacking energy: -5.967 Base-Backbone interact. energy: -0.197 local terms energy: -22.920996 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -1.344 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -32.712874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.712874 (E_RNA) where: Base-Base interactions energy: -7.156 where: short stacking energy: -7.156 Base-Backbone interact. energy: -1.067 local terms energy: -24.489776 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -35.178421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.178421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.178421 (E_RNA) where: Base-Base interactions energy: -11.710 where: short stacking energy: -11.710 Base-Backbone interact. energy: -0.003 local terms energy: -23.464731 where: bonds (distance) C4'-P energy: -4.838 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -39.343008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.343008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.343008 (E_RNA) where: Base-Base interactions energy: -13.409 where: short stacking energy: -11.924 Base-Backbone interact. energy: -0.072 local terms energy: -25.861773 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -3.395 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: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -33.801794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.801794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.801794 (E_RNA) where: Base-Base interactions energy: -9.974 where: short stacking energy: -9.974 Base-Backbone interact. energy: -0.017 local terms energy: -23.811513 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -4.563 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -33.750686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.750686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.750686 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -9.706 Base-Backbone interact. energy: 1.437 local terms energy: -24.365035 where: bonds (distance) C4'-P energy: -5.554 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.416 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: 5, replica: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -31.898821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898821 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.039 local terms energy: -22.715974 where: bonds (distance) C4'-P energy: -5.310 bonds (distance) P-C4' energy: -6.400 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -34.467045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.467045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.467045 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.002 local terms energy: -22.433753 where: bonds (distance) C4'-P energy: -5.661 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -0.554 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -28.007104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.007104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.007104 (E_RNA) where: Base-Base interactions energy: -3.555 where: short stacking energy: -3.555 Base-Backbone interact. energy: -0.002 local terms energy: -24.450505 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -34.828435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.828435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.828435 (E_RNA) where: Base-Base interactions energy: -6.865 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.864 local terms energy: -27.099807 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.101 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -28.984000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.984000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.984000 (E_RNA) where: Base-Base interactions energy: -6.652 where: short stacking energy: -6.652 Base-Backbone interact. energy: -0.390 local terms energy: -21.941576 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -4.403 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: 0.014 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: 1 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -30.018476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.018476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.018476 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.001 local terms energy: -21.924156 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: 1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -38.914962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.914962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.914962 (E_RNA) where: Base-Base interactions energy: -11.965 where: short stacking energy: -11.965 Base-Backbone interact. energy: -0.004 local terms energy: -26.945128 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -4.527 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: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -37.023976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023976 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.028 local terms energy: -26.292039 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -2.979 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: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -43.089164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.089164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.089164 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.017267 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.507 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: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -34.211882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.211882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.211882 (E_RNA) where: Base-Base interactions energy: -8.813 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.016 local terms energy: -25.383109 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -32.050179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.050179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.050179 (E_RNA) where: Base-Base interactions energy: -10.280 where: short stacking energy: -10.280 Base-Backbone interact. energy: -0.120 local terms energy: -21.650237 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: 1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -31.299578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.299578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.299578 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.003 local terms energy: -23.893500 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -33.566478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.566478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.566478 (E_RNA) where: Base-Base interactions energy: -11.874 where: short stacking energy: -11.874 Base-Backbone interact. energy: -0.022 local terms energy: -21.670497 where: bonds (distance) C4'-P energy: -5.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -0.717 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -28.812666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.812666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.812666 (E_RNA) where: Base-Base interactions energy: -5.745 where: short stacking energy: -5.745 Base-Backbone interact. energy: 0.101 local terms energy: -23.168175 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -30.652464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.652464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.652464 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.037 local terms energy: -19.200157 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -4.007 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: 0.284 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -28.052459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.052459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.052459 (E_RNA) where: Base-Base interactions energy: -8.701 where: short stacking energy: -8.701 Base-Backbone interact. energy: 0.802 local terms energy: -20.153445 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -4.278 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: -0.126 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: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -38.162765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.162765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.162765 (E_RNA) where: Base-Base interactions energy: -10.821 where: short stacking energy: -10.821 Base-Backbone interact. energy: 0.772 local terms energy: -28.113458 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -3.603 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: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -30.625017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.625017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.625017 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.287 local terms energy: -19.042754 where: bonds (distance) C4'-P energy: -3.471 bonds (distance) P-C4' energy: -6.011 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -36.366060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.366060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.366060 (E_RNA) where: Base-Base interactions energy: -9.678 where: short stacking energy: -9.678 Base-Backbone interact. energy: -0.054 local terms energy: -26.634835 where: bonds (distance) C4'-P energy: -5.115 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -35.500389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.500389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.500389 (E_RNA) where: Base-Base interactions energy: -9.594 where: short stacking energy: -9.594 Base-Backbone interact. energy: -0.000 local terms energy: -25.906509 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -41.869016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.869016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.869016 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.738 Base-Backbone interact. energy: -0.000 local terms energy: -28.130500 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -1.706 tors. eta vs tors. theta energy: -8.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -32.938926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.938926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.938926 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.108 local terms energy: -21.364281 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: 0.280 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: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -32.734358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.734358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.734358 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.051 local terms energy: -21.906328 where: bonds (distance) C4'-P energy: -4.514 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -1.737 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: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -31.562357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.562357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.562357 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -1.500 local terms energy: -21.994527 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -35.246291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.246291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.246291 (E_RNA) where: Base-Base interactions energy: -11.750 where: short stacking energy: -11.009 Base-Backbone interact. energy: -0.009 local terms energy: -23.486965 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -27.904772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.904772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.904772 (E_RNA) where: Base-Base interactions energy: -6.809 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.102 local terms energy: -20.994075 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -5.488 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -46.181526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.181526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.181526 (E_RNA) where: Base-Base interactions energy: -16.227 where: short stacking energy: -14.239 Base-Backbone interact. energy: -0.453 local terms energy: -29.500978 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -38.231481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.231481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.231481 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.001 local terms energy: -27.201287 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -3.910 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: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -37.578394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.578394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.578394 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.024 local terms energy: -26.165675 where: bonds (distance) C4'-P energy: -5.070 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.018 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: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -34.076091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.076091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.076091 (E_RNA) where: Base-Base interactions energy: -10.230 where: short stacking energy: -10.230 Base-Backbone interact. energy: -0.127 local terms energy: -23.719212 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -37.449780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.449780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.449780 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.013 local terms energy: -26.114426 where: bonds (distance) C4'-P energy: -6.162 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -32.523877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.523877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.523877 (E_RNA) where: Base-Base interactions energy: -6.883 where: short stacking energy: -6.883 Base-Backbone interact. energy: -0.001 local terms energy: -25.640395 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -31.840727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.840727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.840727 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.319 local terms energy: -23.605850 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: 1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -28.850238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.850238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.850238 (E_RNA) where: Base-Base interactions energy: -10.010 where: short stacking energy: -10.010 Base-Backbone interact. energy: -0.016 local terms energy: -18.824730 where: bonds (distance) C4'-P energy: -0.238 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.612 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: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -30.573653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.573653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.573653 (E_RNA) where: Base-Base interactions energy: -6.178 where: short stacking energy: -6.178 Base-Backbone interact. energy: -0.002 local terms energy: -24.393928 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -1.397 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: 5 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -32.303715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.303715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.303715 (E_RNA) where: Base-Base interactions energy: -7.263 where: short stacking energy: -7.263 Base-Backbone interact. energy: -0.001 local terms energy: -25.039703 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -1.278 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: 451 Temperature: 0.900000 Total energy: -45.328040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.328040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.328040 (E_RNA) where: Base-Base interactions energy: -14.932 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.073 local terms energy: -30.323650 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -37.117490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.117490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.117490 (E_RNA) where: Base-Base interactions energy: -12.313 where: short stacking energy: -12.313 Base-Backbone interact. energy: -0.000 local terms energy: -24.804054 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.046 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: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -34.453823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.453823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.453823 (E_RNA) where: Base-Base interactions energy: -9.554 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.003 local terms energy: -24.897061 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -2.880 tors. eta vs tors. theta energy: -2.256 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: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -37.878319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.878319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.878319 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -12.004 Base-Backbone interact. energy: -0.118 local terms energy: -25.756885 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -33.373715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.373715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.373715 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.058 local terms energy: -25.444391 where: bonds (distance) C4'-P energy: -4.759 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -4.693 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: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -30.678193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.678193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.678193 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -11.631 Base-Backbone interact. energy: -0.230 local terms energy: -18.817099 where: bonds (distance) C4'-P energy: -5.355 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -28.926674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.926674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.926674 (E_RNA) where: Base-Base interactions energy: -3.913 where: short stacking energy: -3.717 Base-Backbone interact. energy: -0.076 local terms energy: -24.937760 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -31.790628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.790628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.790628 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.006 local terms energy: -24.381415 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -32.658059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658059 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.180 local terms energy: -23.846383 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -0.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -28.627809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.627809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.627809 (E_RNA) where: Base-Base interactions energy: -6.173 where: short stacking energy: -6.173 Base-Backbone interact. energy: -0.019 local terms energy: -22.436213 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -1.540 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: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -41.483013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.483013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.483013 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.441 local terms energy: -27.571115 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -35.592842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592842 (E_RNA) where: Base-Base interactions energy: -6.262 where: short stacking energy: -6.262 Base-Backbone interact. energy: -0.035 local terms energy: -29.296173 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -35.338644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.338644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.338644 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.024 local terms energy: -23.276161 where: bonds (distance) C4'-P energy: -4.079 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -35.203031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.203031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.203031 (E_RNA) where: Base-Base interactions energy: -11.852 where: short stacking energy: -11.852 Base-Backbone interact. energy: -0.091 local terms energy: -23.260081 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -34.357940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.357940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.357940 (E_RNA) where: Base-Base interactions energy: -10.048 where: short stacking energy: -10.048 Base-Backbone interact. energy: -0.001 local terms energy: -24.308686 where: bonds (distance) C4'-P energy: -5.868 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.382 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -31.926606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.926606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.926606 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.022 local terms energy: -24.951864 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -0.345 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: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -27.185833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.185833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.185833 (E_RNA) where: Base-Base interactions energy: -5.733 where: short stacking energy: -4.188 Base-Backbone interact. energy: -0.104 local terms energy: -21.349162 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -5.437 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: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -30.527406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527406 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.001 local terms energy: -23.047646 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.056 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -30.924070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924070 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.026 local terms energy: -23.370448 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -4.232 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: 10, replica: 5 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -31.364490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364490 (E_RNA) where: Base-Base interactions energy: -8.002 where: short stacking energy: -6.431 Base-Backbone interact. energy: 0.464 local terms energy: -23.826295 where: bonds (distance) C4'-P energy: -6.134 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -41.464519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.464519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.464519 (E_RNA) where: Base-Base interactions energy: -13.310 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.011 local terms energy: -28.143653 where: bonds (distance) C4'-P energy: -6.523 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -3.295 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: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -36.516974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.516974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.516974 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.003 local terms energy: -25.821458 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -34.120248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.120248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.120248 (E_RNA) where: Base-Base interactions energy: -10.068 where: short stacking energy: -10.068 Base-Backbone interact. energy: -0.067 local terms energy: -23.985519 where: bonds (distance) C4'-P energy: -4.217 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -3.850 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: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -44.487153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.487153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.487153 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -13.908 Base-Backbone interact. energy: -0.005 local terms energy: -30.264147 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -31.264073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.264073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.264073 (E_RNA) where: Base-Base interactions energy: -7.789 where: short stacking energy: -7.789 Base-Backbone interact. energy: -0.048 local terms energy: -23.427064 where: bonds (distance) C4'-P energy: -4.059 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -34.116856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.116856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.116856 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.039060 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -3.986 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -36.536742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.536742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.536742 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.000 local terms energy: -22.500493 where: bonds (distance) C4'-P energy: -4.320 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -0.375 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: 3 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -30.911632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.911632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.911632 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.015 local terms energy: -20.515815 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -31.190862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.190862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.190862 (E_RNA) where: Base-Base interactions energy: -6.977 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.725 local terms energy: -23.489187 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: 1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -28.342079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.342079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.342079 (E_RNA) where: Base-Base interactions energy: -3.070 where: short stacking energy: -3.070 Base-Backbone interact. energy: -0.417 local terms energy: -24.854969 where: bonds (distance) C4'-P energy: -6.257 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -40.188726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.188726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.188726 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -16.447 Base-Backbone interact. energy: -0.008 local terms energy: -23.733031 where: bonds (distance) C4'-P energy: -2.912 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -37.011125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.011125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.011125 (E_RNA) where: Base-Base interactions energy: -10.128 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.040 local terms energy: -26.843076 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -40.631433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.631433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.631433 (E_RNA) where: Base-Base interactions energy: -12.598 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.000 local terms energy: -28.033170 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -32.856421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.856421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.856421 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -11.728 Base-Backbone interact. energy: -0.000 local terms energy: -21.128420 where: bonds (distance) C4'-P energy: -3.907 bonds (distance) P-C4' energy: -5.265 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -1.933 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: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -33.950680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.950680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.950680 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.085 local terms energy: -26.193058 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.397 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -34.043910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.043910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.043910 (E_RNA) where: Base-Base interactions energy: -8.714 where: short stacking energy: -8.714 Base-Backbone interact. energy: -0.000 local terms energy: -25.329459 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.266 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: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -29.376789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.376789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.376789 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.089 local terms energy: -18.998362 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.250 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -4.089 tors. eta vs tors. theta energy: -1.014 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: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -33.614734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.614734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.614734 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.950 Base-Backbone interact. energy: -0.000 local terms energy: -25.964774 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -3.506 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: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -29.232935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.232935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.232935 (E_RNA) where: Base-Base interactions energy: -7.464 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.065 local terms energy: -21.703946 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -27.532082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.532082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.532082 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.002 local terms energy: -19.726107 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -0.707 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: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -37.746953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.746953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.746953 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: -0.010 local terms energy: -26.316148 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -39.871257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.871257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.871257 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.008 local terms energy: -26.960344 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -3.454 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -5.310 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: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -37.480311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.480311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.480311 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.007 local terms energy: -25.833106 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -1.165 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: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -36.213935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.213935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.213935 (E_RNA) where: Base-Base interactions energy: -11.260 where: short stacking energy: -11.260 Base-Backbone interact. energy: -0.000 local terms energy: -24.953152 where: bonds (distance) C4'-P energy: -4.775 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -4.833 tors. eta vs tors. theta energy: -3.643 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: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -38.458875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.458875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.458875 (E_RNA) where: Base-Base interactions energy: -12.017 where: short stacking energy: -12.017 Base-Backbone interact. energy: -0.000 local terms energy: -26.442115 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -29.641931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.641931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.641931 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.030 local terms energy: -22.718034 where: bonds (distance) C4'-P energy: -6.212 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -2.852 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: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -32.715843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.715843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.715843 (E_RNA) where: Base-Base interactions energy: -6.033 where: short stacking energy: -6.033 Base-Backbone interact. energy: -0.002 local terms energy: -26.681126 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -30.781351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.781351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.781351 (E_RNA) where: Base-Base interactions energy: -8.547 where: short stacking energy: -7.188 Base-Backbone interact. energy: -0.002 local terms energy: -22.232890 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: -0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -26.959818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.959818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.959818 (E_RNA) where: Base-Base interactions energy: -6.120 where: short stacking energy: -6.120 Base-Backbone interact. energy: -0.019 local terms energy: -20.821469 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: 1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -27.479741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.479741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.479741 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.000 local terms energy: -21.182607 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -41.802686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.802686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.802686 (E_RNA) where: Base-Base interactions energy: -16.140 where: short stacking energy: -16.140 Base-Backbone interact. energy: -0.000 local terms energy: -25.662750 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -2.515 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: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -37.092534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092534 (E_RNA) where: Base-Base interactions energy: -11.412 where: short stacking energy: -11.412 Base-Backbone interact. energy: -0.023 local terms energy: -25.658346 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -34.915867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.915867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.915867 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.097 local terms energy: -26.059938 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -35.071494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.071494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.071494 (E_RNA) where: Base-Base interactions energy: -9.028 where: short stacking energy: -9.028 Base-Backbone interact. energy: -0.000 local terms energy: -26.043056 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -34.024164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.024164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.024164 (E_RNA) where: Base-Base interactions energy: -3.671 where: short stacking energy: -3.671 Base-Backbone interact. energy: -0.002 local terms energy: -30.351084 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -31.253122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.253122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.253122 (E_RNA) where: Base-Base interactions energy: -8.096 where: short stacking energy: -8.096 Base-Backbone interact. energy: -0.079 local terms energy: -23.077631 where: bonds (distance) C4'-P energy: -6.854 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -31.243393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.243393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.243393 (E_RNA) where: Base-Base interactions energy: -10.792 where: short stacking energy: -10.792 Base-Backbone interact. energy: -0.092 local terms energy: -20.359273 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -33.096542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.096542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.096542 (E_RNA) where: Base-Base interactions energy: -9.744 where: short stacking energy: -9.744 Base-Backbone interact. energy: -0.071 local terms energy: -23.281905 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -1.448 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: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -29.652419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.652419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.652419 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.064 local terms energy: -21.975514 where: bonds (distance) C4'-P energy: -5.893 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -5.644 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: 0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -27.001547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.001547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.001547 (E_RNA) where: Base-Base interactions energy: -8.620 where: short stacking energy: -8.620 Base-Backbone interact. energy: -0.108 local terms energy: -18.273521 where: bonds (distance) C4'-P energy: -6.063 bonds (distance) P-C4' energy: -2.974 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: 0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -37.497512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.497512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.497512 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.000 local terms energy: -25.926968 where: bonds (distance) C4'-P energy: -6.382 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -37.417098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.417098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.417098 (E_RNA) where: Base-Base interactions energy: -11.857 where: short stacking energy: -11.857 Base-Backbone interact. energy: 0.200 local terms energy: -25.760762 where: bonds (distance) C4'-P energy: -4.858 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -38.068937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.068937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.068937 (E_RNA) where: Base-Base interactions energy: -12.378 where: short stacking energy: -12.378 Base-Backbone interact. energy: -0.052 local terms energy: -25.638925 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -32.917589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.917589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.917589 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.034 local terms energy: -25.513328 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -0.521 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: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -32.453661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.453661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.453661 (E_RNA) where: Base-Base interactions energy: -7.419 where: short stacking energy: -7.419 Base-Backbone interact. energy: -0.000 local terms energy: -25.034199 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.189 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: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -39.259219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.259219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.259219 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.021 local terms energy: -26.638502 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -5.025 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -3.867 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: 457 Temperature: 1.200000 Total energy: -28.961986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.961986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.961986 (E_RNA) where: Base-Base interactions energy: -6.223 where: short stacking energy: -6.223 Base-Backbone interact. energy: -0.029 local terms energy: -22.709989 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -1.131 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -26.077915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.077915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.077915 (E_RNA) where: Base-Base interactions energy: -5.833 where: short stacking energy: -5.833 Base-Backbone interact. energy: -0.085 local terms energy: -20.159771 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -3.049 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: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -27.914087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.914087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.914087 (E_RNA) where: Base-Base interactions energy: -8.048 where: short stacking energy: -8.048 Base-Backbone interact. energy: -0.030 local terms energy: -19.836445 where: bonds (distance) C4'-P energy: -2.458 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -1.012 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: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -27.894950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.894950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.894950 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.185 local terms energy: -19.625089 where: bonds (distance) C4'-P energy: -4.366 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -0.631 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: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -36.944580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.944580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.944580 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -10.803 Base-Backbone interact. energy: -0.011 local terms energy: -26.131118 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -36.364461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.364461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.364461 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.046 local terms energy: -28.221196 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -0.765 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: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -36.329828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.329828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.329828 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.165 local terms energy: -24.058948 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -4.231 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -4.086 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: 10 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -31.702424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.702424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.702424 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.000 local terms energy: -22.584678 where: bonds (distance) C4'-P energy: -4.146 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -33.139589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.139589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.139589 (E_RNA) where: Base-Base interactions energy: -9.484 where: short stacking energy: -9.484 Base-Backbone interact. energy: -0.050 local terms energy: -23.604832 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -33.485743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.485743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.485743 (E_RNA) where: Base-Base interactions energy: -9.107 where: short stacking energy: -9.107 Base-Backbone interact. energy: -0.001 local terms energy: -24.377605 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -2.156 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -34.848277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.848277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.848277 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: 0.085 local terms energy: -24.687428 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -2.980 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: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -31.392197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.392197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.392197 (E_RNA) where: Base-Base interactions energy: -8.637 where: short stacking energy: -8.637 Base-Backbone interact. energy: -0.031 local terms energy: -22.724928 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -2.734 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -29.011152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.011152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.011152 (E_RNA) where: Base-Base interactions energy: -7.065 where: short stacking energy: -7.065 Base-Backbone interact. energy: -0.070 local terms energy: -21.875908 where: bonds (distance) C4'-P energy: -5.098 bonds (distance) P-C4' energy: -5.742 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: 0.344 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: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -29.676385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.676385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.676385 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: 2.035 local terms energy: -21.575502 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -38.387432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.387432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.387432 (E_RNA) where: Base-Base interactions energy: -12.287 where: short stacking energy: -12.287 Base-Backbone interact. energy: -0.001 local terms energy: -26.098801 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -38.099403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.099403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.099403 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.025 local terms energy: -26.494179 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -1.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -39.427396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.427396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.427396 (E_RNA) where: Base-Base interactions energy: -12.159 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.022 local terms energy: -27.246525 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -37.603311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.603311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.603311 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.033 local terms energy: -26.917404 where: bonds (distance) C4'-P energy: -6.125 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -5.158 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: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -35.208946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.208946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.208946 (E_RNA) where: Base-Base interactions energy: -12.716 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.004 local terms energy: -22.488335 where: bonds (distance) C4'-P energy: -3.098 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -3.338 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: 459 Temperature: 1.150000 Total energy: -30.155733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.155733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.155733 (E_RNA) where: Base-Base interactions energy: -9.701 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.051 local terms energy: -20.404305 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -33.841174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.841174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.841174 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.001 local terms energy: -26.258623 where: bonds (distance) C4'-P energy: -2.742 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -3.188 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: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -29.377514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.377514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.377514 (E_RNA) where: Base-Base interactions energy: -6.365 where: short stacking energy: -6.365 Base-Backbone interact. energy: -0.017 local terms energy: -22.995904 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -0.538 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: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -27.029366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.029366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.029366 (E_RNA) where: Base-Base interactions energy: -2.856 where: short stacking energy: -2.856 Base-Backbone interact. energy: 0.015 local terms energy: -24.189234 where: bonds (distance) C4'-P energy: -5.955 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -0.271 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: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -28.941408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.941408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.941408 (E_RNA) where: Base-Base interactions energy: -9.969 where: short stacking energy: -9.969 Base-Backbone interact. energy: -0.001 local terms energy: -18.971340 where: bonds (distance) C4'-P energy: -6.853 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -3.098 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -33.193832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193832 (E_RNA) where: Base-Base interactions energy: -9.755 where: short stacking energy: -9.755 Base-Backbone interact. energy: -0.020 local terms energy: -23.418676 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: 0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -38.371645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.371645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.371645 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.063 local terms energy: -25.859183 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -3.526 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: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -37.967630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.967630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.967630 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.193 local terms energy: -25.854297 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -4.244 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -2.454 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: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -34.828040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.828040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.828040 (E_RNA) where: Base-Base interactions energy: -11.836 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.075 local terms energy: -22.917698 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: 0.220 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -35.163923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163923 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -11.467 Base-Backbone interact. energy: -0.389 local terms energy: -23.307810 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -33.556274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.556274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.556274 (E_RNA) where: Base-Base interactions energy: -9.872 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.022 local terms energy: -23.662471 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -0.823 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: 460 Temperature: 1.200000 Total energy: -26.826823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.826823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.826823 (E_RNA) where: Base-Base interactions energy: -3.516 where: short stacking energy: -3.516 Base-Backbone interact. energy: -0.014 local terms energy: -23.296783 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -29.517836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.517836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.517836 (E_RNA) where: Base-Base interactions energy: -11.854 where: short stacking energy: -11.854 Base-Backbone interact. energy: -0.000 local terms energy: -17.663995 where: bonds (distance) C4'-P energy: -4.804 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.161 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -2.192 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: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -30.465184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.465184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.465184 (E_RNA) where: Base-Base interactions energy: -4.982 where: short stacking energy: -4.982 Base-Backbone interact. energy: -0.001 local terms energy: -25.482030 where: bonds (distance) C4'-P energy: -5.674 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -29.677064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.677064 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -6.698 Base-Backbone interact. energy: 0.743 local terms energy: -23.036501 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -36.770209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.770209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.770209 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -11.344 Base-Backbone interact. energy: 0.102 local terms energy: -25.501287 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.639 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -33.571515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.571515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.571515 (E_RNA) where: Base-Base interactions energy: -5.786 where: short stacking energy: -5.786 Base-Backbone interact. energy: -0.008 local terms energy: -27.777568 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -36.689789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.689789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.689789 (E_RNA) where: Base-Base interactions energy: -10.520 where: short stacking energy: -10.520 Base-Backbone interact. energy: -0.009 local terms energy: -26.160319 where: bonds (distance) C4'-P energy: -4.622 bonds (distance) P-C4' energy: -6.550 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -37.978111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.978111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.978111 (E_RNA) where: Base-Base interactions energy: -11.662 where: short stacking energy: -11.662 Base-Backbone interact. energy: -0.000 local terms energy: -26.316052 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -36.051182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.051182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.051182 (E_RNA) where: Base-Base interactions energy: -9.950 where: short stacking energy: -9.950 Base-Backbone interact. energy: -0.159 local terms energy: -25.943023 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -3.718 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: 461 Temperature: 1.150000 Total energy: -32.321057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.321057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.321057 (E_RNA) where: Base-Base interactions energy: -7.674 where: short stacking energy: -7.674 Base-Backbone interact. energy: -0.001 local terms energy: -24.646044 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -30.291603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.291603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.291603 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.038 local terms energy: -23.128309 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: 0.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -28.672291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.672291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.672291 (E_RNA) where: Base-Base interactions energy: -7.766 where: short stacking energy: -7.766 Base-Backbone interact. energy: -0.098 local terms energy: -20.808292 where: bonds (distance) C4'-P energy: -4.245 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: 0.184 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: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -31.113464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.113464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.113464 (E_RNA) where: Base-Base interactions energy: -7.944 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.090 local terms energy: -23.079494 where: bonds (distance) C4'-P energy: -5.297 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -27.389222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.389222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.389222 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -9.232 Base-Backbone interact. energy: -0.001 local terms energy: -18.156666 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -0.601 flat angles P-C4'-P energy: -3.495 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -43.605956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.605956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.605956 (E_RNA) where: Base-Base interactions energy: -14.505 where: short stacking energy: -14.505 Base-Backbone interact. energy: -0.061 local terms energy: -29.040143 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -4.005 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: 2, replica: 7 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -37.793891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.793891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.793891 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.243 local terms energy: -24.671077 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -1.164 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: 462 Temperature: 1.000000 Total energy: -36.620549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.620549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.620549 (E_RNA) where: Base-Base interactions energy: -10.809 where: short stacking energy: -10.809 Base-Backbone interact. energy: -0.010 local terms energy: -25.800761 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -0.271 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: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -36.598572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.598572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.598572 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.055 local terms energy: -25.711943 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -6.010 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -1.159 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -35.867722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.867722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.867722 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.074 local terms energy: -25.575097 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -34.771933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.771933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.771933 (E_RNA) where: Base-Base interactions energy: -8.358 where: short stacking energy: -8.358 Base-Backbone interact. energy: -0.046 local terms energy: -26.367548 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -33.709130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709130 (E_RNA) where: Base-Base interactions energy: -6.535 where: short stacking energy: -6.535 Base-Backbone interact. energy: -1.029 local terms energy: -26.145490 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -29.347639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347639 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.000 local terms energy: -22.181712 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -30.446335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.446335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.446335 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.026 local terms energy: -22.317302 where: bonds (distance) C4'-P energy: -5.715 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -0.700 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: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -28.161683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.161683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.161683 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.049 local terms energy: -20.591318 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -2.004 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -43.588474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.588474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.588474 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.008 local terms energy: -31.283587 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -4.669 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: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -38.302239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.302239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.302239 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.097 local terms energy: -26.910134 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -39.832726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.832726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.832726 (E_RNA) where: Base-Base interactions energy: -11.067 where: short stacking energy: -11.067 Base-Backbone interact. energy: -0.684 local terms energy: -28.081085 where: bonds (distance) C4'-P energy: -6.961 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -38.020943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.020943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.020943 (E_RNA) where: Base-Base interactions energy: -13.571 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.007 local terms energy: -24.442870 where: bonds (distance) C4'-P energy: -6.808 bonds (distance) P-C4' energy: -6.075 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -2.619 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: 5, replica: 2 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -34.913627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.913627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.913627 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.008 local terms energy: -23.297461 where: bonds (distance) C4'-P energy: -6.994 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -34.245433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.245433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.245433 (E_RNA) where: Base-Base interactions energy: -13.399 where: short stacking energy: -13.399 Base-Backbone interact. energy: -0.033 local terms energy: -20.813305 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -34.731812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.731812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.731812 (E_RNA) where: Base-Base interactions energy: -6.909 where: short stacking energy: -6.909 Base-Backbone interact. energy: -0.073 local terms energy: -27.749978 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -28.811626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.811626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.811626 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.028 local terms energy: -22.225531 where: bonds (distance) C4'-P energy: -4.092 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.318 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: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -29.676972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.676972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.676972 (E_RNA) where: Base-Base interactions energy: -4.270 where: short stacking energy: -4.270 Base-Backbone interact. energy: -0.000 local terms energy: -25.406457 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: 0.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -28.008878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.008878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.008878 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.356 Base-Backbone interact. energy: -0.027 local terms energy: -20.445244 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: 0.362 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: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -40.976501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.976501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.976501 (E_RNA) where: Base-Base interactions energy: -11.750 where: short stacking energy: -11.750 Base-Backbone interact. energy: -0.072 local terms energy: -29.154143 where: bonds (distance) C4'-P energy: -4.874 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -40.720211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.720211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.720211 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -13.153 Base-Backbone interact. energy: -0.006 local terms energy: -27.390864 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -39.971511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.971511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.971511 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.000 local terms energy: -28.972130 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -34.123149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.123149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.123149 (E_RNA) where: Base-Base interactions energy: -9.832 where: short stacking energy: -9.832 Base-Backbone interact. energy: -0.002 local terms energy: -24.289897 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -38.101241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.101241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.101241 (E_RNA) where: Base-Base interactions energy: -15.874 where: short stacking energy: -15.874 Base-Backbone interact. energy: -0.007 local terms energy: -22.219837 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -5.983 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -3.109 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: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -30.901292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.901292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.901292 (E_RNA) where: Base-Base interactions energy: -6.686 where: short stacking energy: -5.494 Base-Backbone interact. energy: -0.017 local terms energy: -24.197949 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -29.813411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.813411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.813411 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -5.799 Base-Backbone interact. energy: -0.322 local terms energy: -22.279074 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: 1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -29.450025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.450025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.450025 (E_RNA) where: Base-Base interactions energy: -7.017 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.131 local terms energy: -22.301675 where: bonds (distance) C4'-P energy: -5.193 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -1.287 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -31.039998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.039998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.039998 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.010 local terms energy: -23.123464 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -4.175 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: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -29.091344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.091344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.091344 (E_RNA) where: Base-Base interactions energy: -3.038 where: short stacking energy: -3.634 Base-Backbone interact. energy: -0.165 local terms energy: -25.888946 where: bonds (distance) C4'-P energy: -6.506 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -38.210125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.210125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.210125 (E_RNA) where: Base-Base interactions energy: -9.652 where: short stacking energy: -9.652 Base-Backbone interact. energy: -0.087 local terms energy: -28.471046 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -3.780 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: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -38.319755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.319755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.319755 (E_RNA) where: Base-Base interactions energy: -13.856 where: short stacking energy: -13.856 Base-Backbone interact. energy: -0.095 local terms energy: -24.368883 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -1.442 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: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -39.257461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.257461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.257461 (E_RNA) where: Base-Base interactions energy: -11.004 where: short stacking energy: -10.673 Base-Backbone interact. energy: -0.094 local terms energy: -28.158528 where: bonds (distance) C4'-P energy: -7.218 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -31.132778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.132778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.132778 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.217 local terms energy: -23.239040 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: 0.566 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: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -31.614541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.614541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.614541 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -7.996 Base-Backbone interact. energy: -0.822 local terms energy: -22.796104 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: 0.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -31.443433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.443433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.443433 (E_RNA) where: Base-Base interactions energy: -6.531 where: short stacking energy: -6.531 Base-Backbone interact. energy: -0.001 local terms energy: -24.912015 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -4.629 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -31.375515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.375515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.375515 (E_RNA) where: Base-Base interactions energy: -7.813 where: short stacking energy: -7.656 Base-Backbone interact. energy: -0.025 local terms energy: -23.537743 where: bonds (distance) C4'-P energy: -3.106 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -38.002461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.002461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.002461 (E_RNA) where: Base-Base interactions energy: -13.401 where: short stacking energy: -12.448 Base-Backbone interact. energy: 0.677 local terms energy: -25.278809 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -29.467721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467721 (E_RNA) where: Base-Base interactions energy: -6.621 where: short stacking energy: -6.621 Base-Backbone interact. energy: -0.003 local terms energy: -22.843302 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.654 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: 1.082 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: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -32.073228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.073228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.073228 (E_RNA) where: Base-Base interactions energy: -6.919 where: short stacking energy: -6.919 Base-Backbone interact. energy: -0.676 local terms energy: -24.477525 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -0.004 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: 466 Temperature: 0.900000 Total energy: -38.860673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860673 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.000 local terms energy: -31.636199 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -6.558 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: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -37.533167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.533167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.533167 (E_RNA) where: Base-Base interactions energy: -10.814 where: short stacking energy: -10.814 Base-Backbone interact. energy: -0.084 local terms energy: -26.634605 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -36.951061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.951061 (E_RNA) where: Base-Base interactions energy: -12.753 where: short stacking energy: -12.525 Base-Backbone interact. energy: -1.042 local terms energy: -23.155470 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -7.348 flat angles C4'-P-C4' energy: -2.563 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -33.988458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.988458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.988458 (E_RNA) where: Base-Base interactions energy: -9.839 where: short stacking energy: -9.839 Base-Backbone interact. energy: -0.003 local terms energy: -24.146918 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -1.492 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: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -31.638178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.638178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.638178 (E_RNA) where: Base-Base interactions energy: -11.126 where: short stacking energy: -11.126 Base-Backbone interact. energy: -0.038 local terms energy: -20.474067 where: bonds (distance) C4'-P energy: -5.885 bonds (distance) P-C4' energy: -5.507 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -2.813 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: 466 Temperature: 1.150000 Total energy: -32.868145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.868145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.868145 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.068 local terms energy: -25.936127 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -32.346502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.346502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.346502 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.195 Base-Backbone interact. energy: -0.020 local terms energy: -28.131460 where: bonds (distance) C4'-P energy: -7.032 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -33.601282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.601282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.601282 (E_RNA) where: Base-Base interactions energy: -9.723 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.003 local terms energy: -23.875293 where: bonds (distance) C4'-P energy: -5.085 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -28.594312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.594312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.594312 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.000 local terms energy: -21.151559 where: bonds (distance) C4'-P energy: -4.113 bonds (distance) P-C4' energy: -6.078 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: 0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -29.561483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561483 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: 0.093 local terms energy: -21.872344 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -39.316533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316533 (E_RNA) where: Base-Base interactions energy: -12.846 where: short stacking energy: -12.846 Base-Backbone interact. energy: -0.014 local terms energy: -26.456915 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.737 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -35.368536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.368536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.368536 (E_RNA) where: Base-Base interactions energy: -11.681 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.116 local terms energy: -23.571892 where: bonds (distance) C4'-P energy: -4.581 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -37.518720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.518720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.518720 (E_RNA) where: Base-Base interactions energy: -11.274 where: short stacking energy: -11.274 Base-Backbone interact. energy: -0.003 local terms energy: -26.241598 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -36.985609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.985609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.985609 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.623 Base-Backbone interact. energy: -0.001 local terms energy: -25.361633 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -30.349953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.349953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.349953 (E_RNA) where: Base-Base interactions energy: -9.613 where: short stacking energy: -9.613 Base-Backbone interact. energy: -0.026 local terms energy: -20.711488 where: bonds (distance) C4'-P energy: -5.140 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -1.520 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -1.600 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: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -36.630824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.630824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.630824 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -10.239 Base-Backbone interact. energy: -0.013 local terms energy: -26.378904 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -28.585586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.585586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.585586 (E_RNA) where: Base-Base interactions energy: -8.349 where: short stacking energy: -8.349 Base-Backbone interact. energy: -0.150 local terms energy: -20.086566 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -32.238004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.238004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.238004 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.063 local terms energy: -24.828520 where: bonds (distance) C4'-P energy: -5.024 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -1.637 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: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -27.768027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.768027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.768027 (E_RNA) where: Base-Base interactions energy: -4.071 where: short stacking energy: -3.940 Base-Backbone interact. energy: -0.008 local terms energy: -23.688513 where: bonds (distance) C4'-P energy: -5.773 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -26.853082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.853082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.853082 (E_RNA) where: Base-Base interactions energy: -4.543 where: short stacking energy: -4.543 Base-Backbone interact. energy: -0.000 local terms energy: -22.310055 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: 0.215 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: 468 Temperature: 0.900000 Total energy: -36.171932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171932 (E_RNA) where: Base-Base interactions energy: -10.447 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.007 local terms energy: -25.718477 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.747 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: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -41.294139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.294139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.294139 (E_RNA) where: Base-Base interactions energy: -14.962 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.001 local terms energy: -26.331276 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -3.602 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -35.774850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.774850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.774850 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.005 local terms energy: -27.139245 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -32.211875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.211875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.211875 (E_RNA) where: Base-Base interactions energy: -5.057 where: short stacking energy: -5.057 Base-Backbone interact. energy: -0.001 local terms energy: -27.153845 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -34.244335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.244335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.244335 (E_RNA) where: Base-Base interactions energy: -8.074 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.103 local terms energy: -26.067252 where: bonds (distance) C4'-P energy: -6.845 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -32.138729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.138729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.138729 (E_RNA) where: Base-Base interactions energy: -9.845 where: short stacking energy: -9.845 Base-Backbone interact. energy: -0.419 local terms energy: -21.874167 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: 0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -30.570594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.570594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.570594 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.001 local terms energy: -23.876365 where: bonds (distance) C4'-P energy: -5.814 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: 0.758 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: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -32.116961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.116961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.116961 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.078 local terms energy: -22.223939 where: bonds (distance) C4'-P energy: -4.688 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -30.067251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.067251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.067251 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.003 local terms energy: -22.079967 where: bonds (distance) C4'-P energy: -5.637 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.187 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: 0.002 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: 468 Temperature: 1.350000 Total energy: -25.208592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.208592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.208592 (E_RNA) where: Base-Base interactions energy: -3.711 where: short stacking energy: -3.711 Base-Backbone interact. energy: -0.128 local terms energy: -21.370100 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: 2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -35.824570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.824570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.824570 (E_RNA) where: Base-Base interactions energy: -11.279 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.005 local terms energy: -24.540359 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -36.768978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.768978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.768978 (E_RNA) where: Base-Base interactions energy: -11.472 where: short stacking energy: -11.472 Base-Backbone interact. energy: -0.050 local terms energy: -25.246339 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -43.587202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.587202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.587202 (E_RNA) where: Base-Base interactions energy: -13.694 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.000 local terms energy: -29.892636 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -38.259552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.259552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.259552 (E_RNA) where: Base-Base interactions energy: -13.059 where: short stacking energy: -13.059 Base-Backbone interact. energy: -0.957 local terms energy: -24.243486 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -40.038827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.038827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.038827 (E_RNA) where: Base-Base interactions energy: -12.566 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.105 local terms energy: -27.367427 where: bonds (distance) C4'-P energy: -4.962 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -32.283944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.283944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.283944 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.090 local terms energy: -23.913664 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -28.286087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.286087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.286087 (E_RNA) where: Base-Base interactions energy: -3.204 where: short stacking energy: -3.204 Base-Backbone interact. energy: -0.002 local terms energy: -25.079876 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -1.036 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: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -29.164567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.164567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.164567 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: -0.005 local terms energy: -22.912568 where: bonds (distance) C4'-P energy: -5.201 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: 0.852 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: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -29.708633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.708633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.708633 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.078 local terms energy: -23.111848 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: 2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -28.124537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.124537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.124537 (E_RNA) where: Base-Base interactions energy: -6.308 where: short stacking energy: -6.308 Base-Backbone interact. energy: -0.000 local terms energy: -21.816101 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -0.131 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: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -40.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.338148 (E_RNA) where: Base-Base interactions energy: -12.959 where: short stacking energy: -12.959 Base-Backbone interact. energy: -0.026 local terms energy: -27.353131 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -5.717 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -38.956640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.956640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.956640 (E_RNA) where: Base-Base interactions energy: -12.079 where: short stacking energy: -12.079 Base-Backbone interact. energy: -0.153 local terms energy: -26.723956 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.338 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -1.276 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: 6 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -37.327740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.327740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.327740 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.024 local terms energy: -29.455083 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -31.873801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.873801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.873801 (E_RNA) where: Base-Base interactions energy: -9.883 where: short stacking energy: -9.883 Base-Backbone interact. energy: -0.066 local terms energy: -21.924822 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -36.020358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.020358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.020358 (E_RNA) where: Base-Base interactions energy: -11.671 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.078 local terms energy: -24.271696 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.066 tors. eta vs tors. theta energy: -3.969 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -32.690633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.690633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.690633 (E_RNA) where: Base-Base interactions energy: -10.737 where: short stacking energy: -10.737 Base-Backbone interact. energy: 0.118 local terms energy: -22.071745 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -6.237 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -28.801437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.801437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.801437 (E_RNA) where: Base-Base interactions energy: -5.007 where: short stacking energy: -5.007 Base-Backbone interact. energy: -0.144 local terms energy: -23.650468 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -26.412910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.412910 (E_RNA) where: Base-Base interactions energy: -4.063 where: short stacking energy: -4.063 Base-Backbone interact. energy: -0.021 local terms energy: -22.328958 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: 2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -27.210644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.210644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.210644 (E_RNA) where: Base-Base interactions energy: -8.753 where: short stacking energy: -8.753 Base-Backbone interact. energy: -0.001 local terms energy: -18.456923 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -2.986 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -0.352 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -28.726330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.726330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.726330 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -7.191 Base-Backbone interact. energy: 0.398 local terms energy: -21.932429 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -3.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -42.846268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.846268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.846268 (E_RNA) where: Base-Base interactions energy: -14.813 where: short stacking energy: -14.813 Base-Backbone interact. energy: -0.028 local terms energy: -28.004970 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -3.422 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: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -36.475299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.475299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.475299 (E_RNA) where: Base-Base interactions energy: -10.888 where: short stacking energy: -10.888 Base-Backbone interact. energy: -0.004 local terms energy: -25.583348 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -4.794 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -37.749593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.749593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.749593 (E_RNA) where: Base-Base interactions energy: -10.049 where: short stacking energy: -10.049 Base-Backbone interact. energy: -0.000 local terms energy: -27.700859 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -33.543500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.543500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.543500 (E_RNA) where: Base-Base interactions energy: -10.752 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.050 local terms energy: -22.741206 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -2.576 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: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -36.464056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.464056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.464056 (E_RNA) where: Base-Base interactions energy: -15.209 where: short stacking energy: -15.209 Base-Backbone interact. energy: -0.000 local terms energy: -21.254464 where: bonds (distance) C4'-P energy: -3.240 bonds (distance) P-C4' energy: -4.511 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.588 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: 6, replica: 9 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -29.161142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.161142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.161142 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -4.479 Base-Backbone interact. energy: -0.001 local terms energy: -22.660910 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -33.204190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.204190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.204190 (E_RNA) where: Base-Base interactions energy: -8.952 where: short stacking energy: -8.952 Base-Backbone interact. energy: -0.074 local terms energy: -24.177857 where: bonds (distance) C4'-P energy: -4.428 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -31.851576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.851576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.851576 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.037 local terms energy: -23.432555 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -2.289 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: 4 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -30.672348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.672348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.672348 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.071 local terms energy: -18.778978 where: bonds (distance) C4'-P energy: -1.571 bonds (distance) P-C4' energy: -5.063 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -32.109489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.109489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.109489 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -8.970 Base-Backbone interact. energy: 0.268 local terms energy: -24.907999 where: bonds (distance) C4'-P energy: -4.473 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -43.764158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.764158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.764158 (E_RNA) where: Base-Base interactions energy: -16.339 where: short stacking energy: -16.339 Base-Backbone interact. energy: -0.000 local terms energy: -27.425555 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -5.057 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: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -35.602937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.602937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.602937 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.007 local terms energy: -28.459930 where: bonds (distance) C4'-P energy: -6.275 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -37.235791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.235791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.235791 (E_RNA) where: Base-Base interactions energy: -11.494 where: short stacking energy: -11.494 Base-Backbone interact. energy: -0.000 local terms energy: -25.741807 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -41.788778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.788778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.788778 (E_RNA) where: Base-Base interactions energy: -13.486 where: short stacking energy: -11.581 Base-Backbone interact. energy: -0.005 local terms energy: -28.297312 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -35.620279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.620279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.620279 (E_RNA) where: Base-Base interactions energy: -11.527 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.120 local terms energy: -23.973150 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -5.590 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -30.107183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.107183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.107183 (E_RNA) where: Base-Base interactions energy: -3.963 where: short stacking energy: -3.963 Base-Backbone interact. energy: -0.004 local terms energy: -26.140426 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -31.076037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.076037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.076037 (E_RNA) where: Base-Base interactions energy: -5.888 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.102 local terms energy: -25.085736 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -29.919565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919565 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.270 local terms energy: -21.121430 where: bonds (distance) C4'-P energy: -5.488 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.035 tors. eta vs tors. theta energy: -1.113 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: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -31.020371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.020371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.020371 (E_RNA) where: Base-Base interactions energy: -10.650 where: short stacking energy: -10.650 Base-Backbone interact. energy: -0.094 local terms energy: -20.277327 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -1.272 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: 472 Temperature: 1.350000 Total energy: -29.661753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.661753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.661753 (E_RNA) where: Base-Base interactions energy: -6.845 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.000 local terms energy: -22.817115 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -44.834427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.834427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.834427 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.000 local terms energy: -32.025414 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -8.025 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -6.844 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: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -33.283415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.283415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.283415 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.092 local terms energy: -22.050733 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -1.826 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -34.349563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.349563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.349563 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.052 local terms energy: -23.958129 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -36.289791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.289791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.289791 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.100 local terms energy: -26.455395 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -32.337918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.337918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.337918 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.253 local terms energy: -24.069125 where: bonds (distance) C4'-P energy: -5.611 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -0.725 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: 6, replica: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -37.804666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.804666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.804666 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.005 local terms energy: -29.816718 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -33.728816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728816 (E_RNA) where: Base-Base interactions energy: -10.521 where: short stacking energy: -10.521 Base-Backbone interact. energy: -0.000 local terms energy: -23.207675 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -30.735901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.735901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.735901 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.075 Base-Backbone interact. energy: -0.000 local terms energy: -22.660543 where: bonds (distance) C4'-P energy: -6.374 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -33.021967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.021967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.021967 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -5.842 Base-Backbone interact. energy: -0.005 local terms energy: -26.605508 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -29.501807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.501807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.501807 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.002 local terms energy: -21.897703 where: bonds (distance) C4'-P energy: -4.942 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -2.157 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: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -44.905263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.905263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.905263 (E_RNA) where: Base-Base interactions energy: -18.058 where: short stacking energy: -15.036 Base-Backbone interact. energy: -0.002 local terms energy: -26.845386 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -37.728216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.728216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.728216 (E_RNA) where: Base-Base interactions energy: -11.578 where: short stacking energy: -11.578 Base-Backbone interact. energy: -0.000 local terms energy: -26.149827 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -0.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -36.600377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.600377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.600377 (E_RNA) where: Base-Base interactions energy: -14.204 where: short stacking energy: -14.204 Base-Backbone interact. energy: -0.002 local terms energy: -22.394459 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -0.387 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -34.099714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.099714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.099714 (E_RNA) where: Base-Base interactions energy: -5.373 where: short stacking energy: -5.373 Base-Backbone interact. energy: -0.000 local terms energy: -28.726883 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -30.895955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.895955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.895955 (E_RNA) where: Base-Base interactions energy: -7.205 where: short stacking energy: -7.205 Base-Backbone interact. energy: -0.052 local terms energy: -23.638024 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -32.040456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.040456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.040456 (E_RNA) where: Base-Base interactions energy: -8.035 where: short stacking energy: -8.035 Base-Backbone interact. energy: -0.000 local terms energy: -24.005372 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -4.266 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: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -31.415523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.415523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.415523 (E_RNA) where: Base-Base interactions energy: -6.374 where: short stacking energy: -6.374 Base-Backbone interact. energy: -0.004 local terms energy: -25.038285 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: 0.184 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: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -34.113916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.113916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.113916 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.001 local terms energy: -26.077681 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -6.658 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -2.029 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: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -28.693107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.693107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.693107 (E_RNA) where: Base-Base interactions energy: -5.278 where: short stacking energy: -5.278 Base-Backbone interact. energy: -0.013 local terms energy: -23.402152 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: 0.002 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: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -34.029037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.029037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.029037 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.006 local terms energy: -23.032392 where: bonds (distance) C4'-P energy: -5.359 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -0.382 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: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -43.355688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.355688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.355688 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.000 local terms energy: -29.884649 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -34.780230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780230 (E_RNA) where: Base-Base interactions energy: -10.382 where: short stacking energy: -10.382 Base-Backbone interact. energy: -0.000 local terms energy: -24.397734 where: bonds (distance) C4'-P energy: -7.077 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -3.106 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: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -34.515159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.515159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.515159 (E_RNA) where: Base-Base interactions energy: -7.572 where: short stacking energy: -7.572 Base-Backbone interact. energy: -0.000 local terms energy: -26.942854 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -4.572 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: 475 Temperature: 1.050000 Total energy: -32.653306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.653306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.653306 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.045 local terms energy: -21.421489 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -0.169 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: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -37.564216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.564216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.564216 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.005 local terms energy: -30.809723 where: bonds (distance) C4'-P energy: -6.365 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -6.013 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: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -29.845175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.845175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.845175 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.019 local terms energy: -18.931281 where: bonds (distance) C4'-P energy: -2.647 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -0.355 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: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -31.644627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.644627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.644627 (E_RNA) where: Base-Base interactions energy: -10.521 where: short stacking energy: -10.521 Base-Backbone interact. energy: -0.039 local terms energy: -21.084336 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: 0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -29.222649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.222649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.222649 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.000 local terms energy: -21.834759 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -27.638252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.638252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.638252 (E_RNA) where: Base-Base interactions energy: -3.761 where: short stacking energy: -3.761 Base-Backbone interact. energy: -0.006 local terms energy: -23.871172 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -30.253943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.253943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.253943 (E_RNA) where: Base-Base interactions energy: -6.580 where: short stacking energy: -6.580 Base-Backbone interact. energy: -0.041 local terms energy: -23.633574 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -39.317807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.317807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.317807 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.000 local terms energy: -28.587508 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -39.044496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.044496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.044496 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.001 local terms energy: -26.837933 where: bonds (distance) C4'-P energy: -5.309 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -39.680146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.680146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.680146 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.000 local terms energy: -27.457816 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -6.088 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: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -33.402472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.402472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.402472 (E_RNA) where: Base-Base interactions energy: -10.178 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.135 local terms energy: -23.089927 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -34.254567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.254567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.254567 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.031 local terms energy: -25.494615 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -4.861 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: 6, replica: 3 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -28.052337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.052337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.052337 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.079 local terms energy: -20.842137 where: bonds (distance) C4'-P energy: -5.599 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -1.968 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -28.929342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.929342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.929342 (E_RNA) where: Base-Base interactions energy: -7.017 where: short stacking energy: -7.017 Base-Backbone interact. energy: -0.053 local terms energy: -21.859691 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: 0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -30.226253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.226253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.226253 (E_RNA) where: Base-Base interactions energy: -6.144 where: short stacking energy: -6.144 Base-Backbone interact. energy: -0.001 local terms energy: -24.081555 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -2.945 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: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -33.358408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.358408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.358408 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.000 local terms energy: -25.087018 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -0.616 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: 10, replica: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -29.876465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.876465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.876465 (E_RNA) where: Base-Base interactions energy: -7.177 where: short stacking energy: -7.177 Base-Backbone interact. energy: -0.064 local terms energy: -22.634825 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -4.627 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -39.244963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.244963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.244963 (E_RNA) where: Base-Base interactions energy: -12.091 where: short stacking energy: -12.091 Base-Backbone interact. energy: -0.001 local terms energy: -27.153183 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.302 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -5.076 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: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -38.619644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.619644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.619644 (E_RNA) where: Base-Base interactions energy: -10.436 where: short stacking energy: -10.436 Base-Backbone interact. energy: -0.006 local terms energy: -28.177657 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -35.173904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173904 (E_RNA) where: Base-Base interactions energy: -10.998 where: short stacking energy: -10.998 Base-Backbone interact. energy: -0.089 local terms energy: -24.087481 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -33.429394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.429394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.429394 (E_RNA) where: Base-Base interactions energy: -9.793 where: short stacking energy: -9.793 Base-Backbone interact. energy: -0.011 local terms energy: -23.625100 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -2.505 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: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -33.989880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.989880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.989880 (E_RNA) where: Base-Base interactions energy: -8.588 where: short stacking energy: -8.588 Base-Backbone interact. energy: -0.096 local terms energy: -25.306481 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -2.521 tors. eta vs tors. theta energy: -2.369 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: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -31.799204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.799204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.799204 (E_RNA) where: Base-Base interactions energy: -5.882 where: short stacking energy: -5.882 Base-Backbone interact. energy: -0.006 local terms energy: -25.911098 where: bonds (distance) C4'-P energy: -5.409 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -0.835 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: 3 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -32.327582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.327582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.327582 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.576 local terms energy: -24.582647 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.246 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -36.978936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.978936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.978936 (E_RNA) where: Base-Base interactions energy: -9.496 where: short stacking energy: -9.496 Base-Backbone interact. energy: -0.000 local terms energy: -27.482822 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -4.506 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: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -31.709119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.709119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.709119 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.096 local terms energy: -21.953807 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -30.590712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.590712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.590712 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.004 local terms energy: -23.463326 where: bonds (distance) C4'-P energy: -5.413 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.988 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: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -37.910665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.910665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.910665 (E_RNA) where: Base-Base interactions energy: -12.207 where: short stacking energy: -12.107 Base-Backbone interact. energy: -0.069 local terms energy: -25.634728 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -43.440258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.440258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.440258 (E_RNA) where: Base-Base interactions energy: -14.061 where: short stacking energy: -14.061 Base-Backbone interact. energy: -0.000 local terms energy: -29.379509 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -4.723 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: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -39.377724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.377724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.377724 (E_RNA) where: Base-Base interactions energy: -12.788 where: short stacking energy: -12.788 Base-Backbone interact. energy: -0.006 local terms energy: -26.584150 where: bonds (distance) C4'-P energy: -6.606 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.252 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: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -32.319930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.319930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.319930 (E_RNA) where: Base-Base interactions energy: -8.727 where: short stacking energy: -8.727 Base-Backbone interact. energy: -0.089 local terms energy: -23.503677 where: bonds (distance) C4'-P energy: -7.015 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: 1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -35.616151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.616151 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.001 local terms energy: -24.264826 where: bonds (distance) C4'-P energy: -5.288 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -2.235 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: 6, replica: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -29.633170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.633170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.633170 (E_RNA) where: Base-Base interactions energy: -3.269 where: short stacking energy: -3.269 Base-Backbone interact. energy: -0.004 local terms energy: -26.360155 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -1.259 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: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -28.121975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.121975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.121975 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.076 local terms energy: -20.922172 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -32.489586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.489586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.489586 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.070 local terms energy: -24.726256 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -2.476 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: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -29.726912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.726912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.726912 (E_RNA) where: Base-Base interactions energy: -6.757 where: short stacking energy: -6.757 Base-Backbone interact. energy: -0.102 local terms energy: -22.867870 where: bonds (distance) C4'-P energy: -5.106 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.000 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -29.904404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.904404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.904404 (E_RNA) where: Base-Base interactions energy: -8.011 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.094 local terms energy: -21.799241 where: bonds (distance) C4'-P energy: -4.564 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -0.383 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: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -40.045333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.045333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.045333 (E_RNA) where: Base-Base interactions energy: -10.757 where: short stacking energy: -10.757 Base-Backbone interact. energy: -0.000 local terms energy: -29.288125 where: bonds (distance) C4'-P energy: -7.317 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -35.098001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.098001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.098001 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.000 local terms energy: -23.605652 where: bonds (distance) C4'-P energy: -5.815 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -37.876600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.876600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.876600 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -9.659 Base-Backbone interact. energy: -0.064 local terms energy: -28.153497 where: bonds (distance) C4'-P energy: -6.232 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -32.002563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.002563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.002563 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.003 local terms energy: -21.863729 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -1.094 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: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -39.051796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.051796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.051796 (E_RNA) where: Base-Base interactions energy: -13.777 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.004 local terms energy: -25.270211 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -1.506 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: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -35.591270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.591270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.591270 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.094 local terms energy: -23.106765 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -32.217743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.217743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.217743 (E_RNA) where: Base-Base interactions energy: -7.922 where: short stacking energy: -7.922 Base-Backbone interact. energy: -0.768 local terms energy: -23.528210 where: bonds (distance) C4'-P energy: -5.256 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -32.753889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.753889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.753889 (E_RNA) where: Base-Base interactions energy: -12.009 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.037 local terms energy: -20.707703 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -4.130 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -0.232 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: 479 Temperature: 1.300000 Total energy: -31.940190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.940190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.940190 (E_RNA) where: Base-Base interactions energy: -9.990 where: short stacking energy: -9.990 Base-Backbone interact. energy: -0.010 local terms energy: -21.940547 where: bonds (distance) C4'-P energy: -5.558 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.118 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: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -29.221951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.221951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.221951 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.001 local terms energy: -21.093840 where: bonds (distance) C4'-P energy: -4.954 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: 2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -43.686890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.686890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.686890 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -14.034 Base-Backbone interact. energy: -0.030 local terms energy: -28.360371 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -4.403 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: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -41.153176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.153176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.153176 (E_RNA) where: Base-Base interactions energy: -11.215 where: short stacking energy: -11.215 Base-Backbone interact. energy: -0.000 local terms energy: -29.938396 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -4.815 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: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -37.620254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.620254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.620254 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.103 local terms energy: -26.713828 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.020 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -1.773 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: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -35.513044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.513044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.513044 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -11.068 Base-Backbone interact. energy: -0.093 local terms energy: -23.745419 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -1.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -33.319458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319458 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.081 local terms energy: -22.871061 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -3.476 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: 480 Temperature: 1.150000 Total energy: -31.149390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149390 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -7.346 Base-Backbone interact. energy: -0.015 local terms energy: -22.739662 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -5.994 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.284 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: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -35.950584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.950584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.950584 (E_RNA) where: Base-Base interactions energy: -12.871 where: short stacking energy: -12.871 Base-Backbone interact. energy: 0.925 local terms energy: -24.004803 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -32.652694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.652694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.652694 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.000 local terms energy: -23.669818 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -0.634 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -5.336 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: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -27.210052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.210052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.210052 (E_RNA) where: Base-Base interactions energy: -4.551 where: short stacking energy: -4.551 Base-Backbone interact. energy: -0.002 local terms energy: -22.657025 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: 0.110 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: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -29.346304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.346304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.346304 (E_RNA) where: Base-Base interactions energy: -6.431 where: short stacking energy: -6.431 Base-Backbone interact. energy: -0.000 local terms energy: -22.915194 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -4.269 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -5.482 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: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -42.286974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.286974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.286974 (E_RNA) where: Base-Base interactions energy: -14.623 where: short stacking energy: -14.623 Base-Backbone interact. energy: -0.173 local terms energy: -27.491236 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -6.072 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -43.940304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.940304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.940304 (E_RNA) where: Base-Base interactions energy: -13.231 where: short stacking energy: -13.231 Base-Backbone interact. energy: -0.000 local terms energy: -30.709576 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -4.642 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: 3, replica: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -36.690229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.690229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.690229 (E_RNA) where: Base-Base interactions energy: -14.016 where: short stacking energy: -14.016 Base-Backbone interact. energy: 1.196 local terms energy: -23.869733 where: bonds (distance) C4'-P energy: -4.457 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -34.269565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.269565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.269565 (E_RNA) where: Base-Base interactions energy: -9.084 where: short stacking energy: -9.084 Base-Backbone interact. energy: -0.055 local terms energy: -25.130696 where: bonds (distance) C4'-P energy: -5.744 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -33.672931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.672931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.672931 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.000 local terms energy: -23.111595 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -0.565 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -32.632278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.632278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.632278 (E_RNA) where: Base-Base interactions energy: -8.489 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.083 local terms energy: -24.060849 where: bonds (distance) C4'-P energy: -6.356 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.633 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: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -29.466292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.466292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.466292 (E_RNA) where: Base-Base interactions energy: -10.310 where: short stacking energy: -10.310 Base-Backbone interact. energy: -0.036 local terms energy: -19.120401 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -1.115 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -32.415438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.415438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.415438 (E_RNA) where: Base-Base interactions energy: -3.398 where: short stacking energy: -3.398 Base-Backbone interact. energy: -0.021 local terms energy: -28.995677 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -4.470 tors. eta vs tors. theta energy: -3.084 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: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -38.363542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.363542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.363542 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -10.986 Base-Backbone interact. energy: -0.002 local terms energy: -25.911211 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -5.017 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: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -37.329020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.329020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.329020 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.003 local terms energy: -28.087296 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -40.814390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.814390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.814390 (E_RNA) where: Base-Base interactions energy: -14.059 where: short stacking energy: -14.059 Base-Backbone interact. energy: -0.000 local terms energy: -26.755528 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -4.599 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -41.769721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.769721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.769721 (E_RNA) where: Base-Base interactions energy: -11.404 where: short stacking energy: -11.404 Base-Backbone interact. energy: -0.000 local terms energy: -30.365224 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -33.391022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.391022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.391022 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.214 Base-Backbone interact. energy: -0.034 local terms energy: -26.143068 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -3.265 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: 10 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -35.350274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.350274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.350274 (E_RNA) where: Base-Base interactions energy: -9.463 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.000 local terms energy: -25.886987 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -4.804 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -33.445682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.445682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.445682 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: -0.102 local terms energy: -23.934169 where: bonds (distance) C4'-P energy: -5.326 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -41.040964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.040964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.040964 (E_RNA) where: Base-Base interactions energy: -14.041 where: short stacking energy: -14.041 Base-Backbone interact. energy: -0.000 local terms energy: -27.000272 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -34.714956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.714956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.714956 (E_RNA) where: Base-Base interactions energy: -10.842 where: short stacking energy: -10.842 Base-Backbone interact. energy: 0.085 local terms energy: -23.958352 where: bonds (distance) C4'-P energy: -5.194 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -26.429561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.429561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.429561 (E_RNA) where: Base-Base interactions energy: -7.170 where: short stacking energy: -7.170 Base-Backbone interact. energy: -0.092 local terms energy: -19.166736 where: bonds (distance) C4'-P energy: -4.846 bonds (distance) P-C4' energy: -6.006 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: 0.767 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: 9, replica: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -26.414698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.414698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.414698 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.106 local terms energy: -18.598524 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: 1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -26.430487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.430487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.430487 (E_RNA) where: Base-Base interactions energy: -5.038 where: short stacking energy: -5.038 Base-Backbone interact. energy: -0.060 local terms energy: -21.332543 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: 1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -40.224610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.224610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.224610 (E_RNA) where: Base-Base interactions energy: -11.750 where: short stacking energy: -11.750 Base-Backbone interact. energy: -0.097 local terms energy: -28.377510 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -39.158395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.158395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.158395 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.000 local terms energy: -27.988311 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -36.116483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.116483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.116483 (E_RNA) where: Base-Base interactions energy: -10.497 where: short stacking energy: -10.056 Base-Backbone interact. energy: -0.196 local terms energy: -25.423245 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -35.601193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.601193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.601193 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: -0.000 local terms energy: -26.511873 where: bonds (distance) C4'-P energy: -5.248 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -36.658931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.658931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.658931 (E_RNA) where: Base-Base interactions energy: -8.143 where: short stacking energy: -8.143 Base-Backbone interact. energy: -0.000 local terms energy: -28.515294 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -29.807313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.807313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.807313 (E_RNA) where: Base-Base interactions energy: -10.006 where: short stacking energy: -10.006 Base-Backbone interact. energy: -0.021 local terms energy: -19.780081 where: bonds (distance) C4'-P energy: -6.481 bonds (distance) P-C4' energy: -4.443 flat angles C4'-P-C4' energy: -3.860 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -31.634045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.634045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.634045 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.071 local terms energy: -25.502046 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -29.587179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.587179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.587179 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.000 local terms energy: -21.941395 where: bonds (distance) C4'-P energy: -5.769 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: 0.891 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: 483 Temperature: 1.300000 Total energy: -29.371380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.371380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.371380 (E_RNA) where: Base-Base interactions energy: -4.135 where: short stacking energy: -4.135 Base-Backbone interact. energy: -0.000 local terms energy: -25.236588 where: bonds (distance) C4'-P energy: -4.908 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.392 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -34.129592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.129592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.129592 (E_RNA) where: Base-Base interactions energy: -6.495 where: short stacking energy: -6.495 Base-Backbone interact. energy: -0.008 local terms energy: -27.626487 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -39.766555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766555 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.000 local terms energy: -25.453133 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -5.250 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: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -39.547509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.547509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.547509 (E_RNA) where: Base-Base interactions energy: -10.564 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.002 local terms energy: -28.981742 where: bonds (distance) C4'-P energy: -6.428 bonds (distance) P-C4' energy: -7.341 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -38.797408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.797408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.797408 (E_RNA) where: Base-Base interactions energy: -11.361 where: short stacking energy: -11.361 Base-Backbone interact. energy: -0.001 local terms energy: -27.435826 where: bonds (distance) C4'-P energy: -4.821 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -33.586111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.586111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.586111 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.036 local terms energy: -25.970000 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -33.771048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771048 (E_RNA) where: Base-Base interactions energy: -8.617 where: short stacking energy: -7.130 Base-Backbone interact. energy: -1.028 local terms energy: -24.126042 where: bonds (distance) C4'-P energy: -5.653 bonds (distance) P-C4' energy: -8.028 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: 0.296 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: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -31.104457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.104457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.104457 (E_RNA) where: Base-Base interactions energy: -8.172 where: short stacking energy: -6.663 Base-Backbone interact. energy: 0.088 local terms energy: -23.020029 where: bonds (distance) C4'-P energy: -5.930 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -29.868386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.868386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.868386 (E_RNA) where: Base-Base interactions energy: -7.732 where: short stacking energy: -7.732 Base-Backbone interact. energy: -0.160 local terms energy: -21.975781 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -28.085643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.085643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.085643 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: 0.851 local terms energy: -21.156346 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -29.977247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.977247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.977247 (E_RNA) where: Base-Base interactions energy: -7.452 where: short stacking energy: -7.452 Base-Backbone interact. energy: 0.158 local terms energy: -22.682427 where: bonds (distance) C4'-P energy: -5.325 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -28.802163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.802163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.802163 (E_RNA) where: Base-Base interactions energy: -5.657 where: short stacking energy: -3.695 Base-Backbone interact. energy: -0.235 local terms energy: -22.910431 where: bonds (distance) C4'-P energy: -5.379 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -3.249 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: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -44.510051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.510051 (E_RNA) where: Base-Base interactions energy: -15.367 where: short stacking energy: -15.367 Base-Backbone interact. energy: -0.001 local terms energy: -29.142455 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -37.614651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.614651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.614651 (E_RNA) where: Base-Base interactions energy: -11.610 where: short stacking energy: -11.610 Base-Backbone interact. energy: -0.002 local terms energy: -26.002809 where: bonds (distance) C4'-P energy: -4.784 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -39.877231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.877231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.877231 (E_RNA) where: Base-Base interactions energy: -12.941 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.000 local terms energy: -26.935670 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -3.424 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: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -35.491028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.491028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.491028 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.000 local terms energy: -24.947773 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -37.280553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.280553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.280553 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.004 local terms energy: -26.938725 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -4.171 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: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -30.119519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.119519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.119519 (E_RNA) where: Base-Base interactions energy: -8.633 where: short stacking energy: -6.683 Base-Backbone interact. energy: -0.072 local terms energy: -21.414760 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -30.738563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.738563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.738563 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.187 local terms energy: -20.754660 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: 0.250 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -29.057818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.057818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.057818 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.086 local terms energy: -21.461434 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -29.459424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.459424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.459424 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: 0.118 local terms energy: -22.325479 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.720 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -25.475684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475684 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -0.007 local terms energy: -18.138865 where: bonds (distance) C4'-P energy: -5.032 bonds (distance) P-C4' energy: -6.069 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -0.565 tors. eta vs tors. theta energy: 0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -43.265477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.265477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.265477 (E_RNA) where: Base-Base interactions energy: -13.204 where: short stacking energy: -13.204 Base-Backbone interact. energy: -0.000 local terms energy: -30.061189 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -7.255 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -5.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -36.412683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.412683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.412683 (E_RNA) where: Base-Base interactions energy: -7.763 where: short stacking energy: -6.368 Base-Backbone interact. energy: -0.542 local terms energy: -28.107446 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -35.362024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.362024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.362024 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.002 local terms energy: -24.430244 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -1.404 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: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -40.496810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.496810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.496810 (E_RNA) where: Base-Base interactions energy: -14.114 where: short stacking energy: -14.114 Base-Backbone interact. energy: -0.000 local terms energy: -26.382779 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -5.453 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -2.894 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: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -34.736725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.736725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.736725 (E_RNA) where: Base-Base interactions energy: -11.300 where: short stacking energy: -11.300 Base-Backbone interact. energy: -0.097 local terms energy: -23.339252 where: bonds (distance) C4'-P energy: -4.730 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -4.048 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: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -30.702264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.702264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.702264 (E_RNA) where: Base-Base interactions energy: -7.399 where: short stacking energy: -7.399 Base-Backbone interact. energy: -0.005 local terms energy: -23.298301 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.042 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -32.030105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.030105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.030105 (E_RNA) where: Base-Base interactions energy: -9.026 where: short stacking energy: -9.026 Base-Backbone interact. energy: -0.000 local terms energy: -23.004251 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -29.469501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.469501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.469501 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -9.927 Base-Backbone interact. energy: -0.109 local terms energy: -18.324491 where: bonds (distance) C4'-P energy: -6.622 bonds (distance) P-C4' energy: -3.882 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -0.105 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: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -30.587965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.587965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.587965 (E_RNA) where: Base-Base interactions energy: -5.830 where: short stacking energy: -5.830 Base-Backbone interact. energy: -0.096 local terms energy: -24.661626 where: bonds (distance) C4'-P energy: -6.908 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -0.704 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: 486 Temperature: 1.350000 Total energy: -29.003787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003787 (E_RNA) where: Base-Base interactions energy: -4.373 where: short stacking energy: -4.373 Base-Backbone interact. energy: -0.007 local terms energy: -24.624327 where: bonds (distance) C4'-P energy: -6.328 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -37.365812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.365812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.365812 (E_RNA) where: Base-Base interactions energy: -10.958 where: short stacking energy: -10.958 Base-Backbone interact. energy: -0.004 local terms energy: -26.403321 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -4.719 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: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -34.801386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.801386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.801386 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.011 local terms energy: -24.570965 where: bonds (distance) C4'-P energy: -6.552 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -37.457355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.457355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.457355 (E_RNA) where: Base-Base interactions energy: -14.648 where: short stacking energy: -14.648 Base-Backbone interact. energy: -0.000 local terms energy: -22.809176 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.180 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: 4, replica: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -31.247723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247723 (E_RNA) where: Base-Base interactions energy: -10.200 where: short stacking energy: -10.200 Base-Backbone interact. energy: -0.028 local terms energy: -21.019461 where: bonds (distance) C4'-P energy: -4.999 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -5.704 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: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -32.646156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.646156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.646156 (E_RNA) where: Base-Base interactions energy: -7.772 where: short stacking energy: -6.061 Base-Backbone interact. energy: 0.238 local terms energy: -25.112846 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: 0.358 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: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -32.948811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.948811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.948811 (E_RNA) where: Base-Base interactions energy: -10.983 where: short stacking energy: -10.983 Base-Backbone interact. energy: -0.187 local terms energy: -21.779135 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: 2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -29.563433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.563433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.563433 (E_RNA) where: Base-Base interactions energy: -8.803 where: short stacking energy: -6.899 Base-Backbone interact. energy: -0.178 local terms energy: -20.582594 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -30.143918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.143918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.143918 (E_RNA) where: Base-Base interactions energy: -8.375 where: short stacking energy: -8.375 Base-Backbone interact. energy: 0.192 local terms energy: -21.960581 where: bonds (distance) C4'-P energy: -5.434 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -2.090 tors. eta vs tors. theta energy: -1.117 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: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -28.779784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.779784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.779784 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -8.679 Base-Backbone interact. energy: -0.032 local terms energy: -20.068946 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -27.663034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.663034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.663034 (E_RNA) where: Base-Base interactions energy: -5.690 where: short stacking energy: -5.690 Base-Backbone interact. energy: -0.102 local terms energy: -21.870873 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -1.210 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: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -39.081855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.081855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.081855 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.051 local terms energy: -28.658910 where: bonds (distance) C4'-P energy: -5.595 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -3.715 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: 1 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -36.683214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.683214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.683214 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.082 local terms energy: -25.758080 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -2.518 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: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -33.139747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.139747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.139747 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.012 local terms energy: -25.440334 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -34.273270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.273270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.273270 (E_RNA) where: Base-Base interactions energy: -13.538 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.000 local terms energy: -20.735271 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -6.476 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.846 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: 5, replica: 2 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -34.778959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.778959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.778959 (E_RNA) where: Base-Base interactions energy: -9.349 where: short stacking energy: -9.349 Base-Backbone interact. energy: -0.028 local terms energy: -25.402039 where: bonds (distance) C4'-P energy: -6.899 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -34.002556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.002556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.002556 (E_RNA) where: Base-Base interactions energy: -10.461 where: short stacking energy: -10.461 Base-Backbone interact. energy: -0.006 local terms energy: -23.534964 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -5.421 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -2.948 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: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -30.332070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.332070 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.001 local terms energy: -22.837401 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: 0.092 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: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -28.647520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.647520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.647520 (E_RNA) where: Base-Base interactions energy: -11.931 where: short stacking energy: -7.821 Base-Backbone interact. energy: -0.270 local terms energy: -16.446414 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -4.048 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: 1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -29.784018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.784018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.784018 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.001 local terms energy: -22.735545 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -5.032 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -1.637 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: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -26.742563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.742563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.742563 (E_RNA) where: Base-Base interactions energy: -4.366 where: short stacking energy: -2.640 Base-Backbone interact. energy: -0.090 local terms energy: -22.286509 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -5.749 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -1.277 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: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -38.276659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.276659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.276659 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.001 local terms energy: -26.652844 where: bonds (distance) C4'-P energy: -5.529 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -36.734516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.734516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.734516 (E_RNA) where: Base-Base interactions energy: -11.652 where: short stacking energy: -11.652 Base-Backbone interact. energy: -0.006 local terms energy: -25.077332 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -40.103271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.103271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.103271 (E_RNA) where: Base-Base interactions energy: -10.837 where: short stacking energy: -10.837 Base-Backbone interact. energy: -0.005 local terms energy: -29.261018 where: bonds (distance) C4'-P energy: -6.800 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -35.425476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.425476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.425476 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.010 local terms energy: -25.110690 where: bonds (distance) C4'-P energy: -6.456 bonds (distance) P-C4' energy: -5.191 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -36.311223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.311223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.311223 (E_RNA) where: Base-Base interactions energy: -9.752 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.002 local terms energy: -26.557572 where: bonds (distance) C4'-P energy: -4.900 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -2.002 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: 489 Temperature: 1.150000 Total energy: -35.472769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.472769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.472769 (E_RNA) where: Base-Base interactions energy: -10.577 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.004 local terms energy: -24.891850 where: bonds (distance) C4'-P energy: -4.196 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -5.025 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: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -34.318543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.318543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.318543 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.014 local terms energy: -26.446004 where: bonds (distance) C4'-P energy: -6.444 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -33.885713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.885713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.885713 (E_RNA) where: Base-Base interactions energy: -12.293 where: short stacking energy: -12.293 Base-Backbone interact. energy: -0.110 local terms energy: -21.482333 where: bonds (distance) C4'-P energy: -3.347 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -2.360 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -27.540897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.540897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.540897 (E_RNA) where: Base-Base interactions energy: -0.299 where: short stacking energy: -0.299 Base-Backbone interact. energy: -0.152 local terms energy: -27.089692 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -32.479776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.479776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.479776 (E_RNA) where: Base-Base interactions energy: -9.418 where: short stacking energy: -9.418 Base-Backbone interact. energy: -0.000 local terms energy: -23.061865 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -35.548697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.548697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.548697 (E_RNA) where: Base-Base interactions energy: -8.089 where: short stacking energy: -8.089 Base-Backbone interact. energy: -0.035 local terms energy: -27.424708 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -6.152 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: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -40.308486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.308486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.308486 (E_RNA) where: Base-Base interactions energy: -11.192 where: short stacking energy: -11.192 Base-Backbone interact. energy: -0.001 local terms energy: -29.116142 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.349 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -5.095 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: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -31.741882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.741882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.741882 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -8.846 Base-Backbone interact. energy: -0.107 local terms energy: -21.705240 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: 1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -31.614907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.614907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.614907 (E_RNA) where: Base-Base interactions energy: -9.147 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.144 local terms energy: -22.323326 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -0.021 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: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -36.460731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.460731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.460731 (E_RNA) where: Base-Base interactions energy: -8.732 where: short stacking energy: -8.732 Base-Backbone interact. energy: -0.000 local terms energy: -27.728418 where: bonds (distance) C4'-P energy: -6.721 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -3.064 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: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -32.218034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.218034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.218034 (E_RNA) where: Base-Base interactions energy: -5.198 where: short stacking energy: -5.198 Base-Backbone interact. energy: -0.015 local terms energy: -27.004869 where: bonds (distance) C4'-P energy: -6.746 bonds (distance) P-C4' energy: -6.725 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -37.938324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.938324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.938324 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.000 local terms energy: -26.917066 where: bonds (distance) C4'-P energy: -6.204 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -29.899861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.899861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.899861 (E_RNA) where: Base-Base interactions energy: -10.429 where: short stacking energy: -10.429 Base-Backbone interact. energy: -0.130 local terms energy: -19.341223 where: bonds (distance) C4'-P energy: -5.351 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -1.830 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -30.443670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.443670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.443670 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.425 Base-Backbone interact. energy: -0.146 local terms energy: -23.872580 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -27.243362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.243362 (E_RNA) where: Base-Base interactions energy: -2.321 where: short stacking energy: -2.321 Base-Backbone interact. energy: -0.000 local terms energy: -24.921989 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.663 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: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -34.225283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.225283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.225283 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.098 local terms energy: -25.400584 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -43.368850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.368850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.368850 (E_RNA) where: Base-Base interactions energy: -15.242 where: short stacking energy: -13.924 Base-Backbone interact. energy: -0.023 local terms energy: -28.103350 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -6.988 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -35.889829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.889829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.889829 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.000 local terms energy: -23.753498 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -1.554 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: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -36.467706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.467706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.467706 (E_RNA) where: Base-Base interactions energy: -8.505 where: short stacking energy: -8.505 Base-Backbone interact. energy: -0.008 local terms energy: -27.954312 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -33.628311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.628311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.628311 (E_RNA) where: Base-Base interactions energy: -9.822 where: short stacking energy: -9.822 Base-Backbone interact. energy: -0.988 local terms energy: -22.817749 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -29.777359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.777359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.777359 (E_RNA) where: Base-Base interactions energy: -5.617 where: short stacking energy: -5.763 Base-Backbone interact. energy: -0.002 local terms energy: -24.159099 where: bonds (distance) C4'-P energy: -6.580 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -31.736586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.736586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.736586 (E_RNA) where: Base-Base interactions energy: -6.381 where: short stacking energy: -6.381 Base-Backbone interact. energy: -0.005 local terms energy: -25.350453 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -1.004 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: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -27.175311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.175311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.175311 (E_RNA) where: Base-Base interactions energy: -7.303 where: short stacking energy: -7.303 Base-Backbone interact. energy: -0.046 local terms energy: -19.825781 where: bonds (distance) C4'-P energy: -3.790 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: 0.964 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: 491 Temperature: 1.300000 Total energy: -29.942786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942786 (E_RNA) where: Base-Base interactions energy: -5.614 where: short stacking energy: -5.614 Base-Backbone interact. energy: -0.147 local terms energy: -24.181705 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: 0.226 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: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -31.920157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.920157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.920157 (E_RNA) where: Base-Base interactions energy: -5.179 where: short stacking energy: -5.179 Base-Backbone interact. energy: -0.052 local terms energy: -26.689275 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -43.822015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.822015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.822015 (E_RNA) where: Base-Base interactions energy: -13.774 where: short stacking energy: -13.774 Base-Backbone interact. energy: -0.010 local terms energy: -30.038170 where: bonds (distance) C4'-P energy: -6.738 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -4.867 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: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -36.948496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.948496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.948496 (E_RNA) where: Base-Base interactions energy: -9.201 where: short stacking energy: -9.201 Base-Backbone interact. energy: -0.089 local terms energy: -27.658622 where: bonds (distance) C4'-P energy: -5.753 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -39.814908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.814908 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -1.063 local terms energy: -24.290300 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -33.230941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230941 (E_RNA) where: Base-Base interactions energy: -10.718 where: short stacking energy: -10.718 Base-Backbone interact. energy: -0.031 local terms energy: -22.481856 where: bonds (distance) C4'-P energy: -4.829 bonds (distance) P-C4' energy: -6.425 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -2.239 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: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -31.679279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.679279 (E_RNA) where: Base-Base interactions energy: -7.063 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.000 local terms energy: -24.615930 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -1.494 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: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -31.928737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.928737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.928737 (E_RNA) where: Base-Base interactions energy: -5.684 where: short stacking energy: -5.773 Base-Backbone interact. energy: -0.004 local terms energy: -26.241162 where: bonds (distance) C4'-P energy: -5.503 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -32.968273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.968273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.968273 (E_RNA) where: Base-Base interactions energy: -9.623 where: short stacking energy: -5.723 Base-Backbone interact. energy: -1.485 local terms energy: -21.860326 where: bonds (distance) C4'-P energy: -6.490 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -29.732437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.732437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.732437 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.026 local terms energy: -21.727867 where: bonds (distance) C4'-P energy: -5.165 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: 0.115 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: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -27.440836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.440836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.440836 (E_RNA) where: Base-Base interactions energy: -3.590 where: short stacking energy: -3.590 Base-Backbone interact. energy: -0.059 local terms energy: -23.791972 where: bonds (distance) C4'-P energy: -6.660 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: 0.492 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: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -26.537293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.537293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.537293 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -4.387 Base-Backbone interact. energy: -0.127 local terms energy: -18.198711 where: bonds (distance) C4'-P energy: -5.827 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -38.816151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.816151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.816151 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -9.964 Base-Backbone interact. energy: -0.000 local terms energy: -28.852344 where: bonds (distance) C4'-P energy: -6.116 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -42.650602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.650602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.650602 (E_RNA) where: Base-Base interactions energy: -14.815 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.008 local terms energy: -27.827566 where: bonds (distance) C4'-P energy: -5.902 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -38.138208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.138208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.138208 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.000 local terms energy: -27.095999 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -34.684263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.684263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.684263 (E_RNA) where: Base-Base interactions energy: -8.130 where: short stacking energy: -8.130 Base-Backbone interact. energy: -0.002 local terms energy: -26.552233 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -37.679245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.679245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.679245 (E_RNA) where: Base-Base interactions energy: -11.607 where: short stacking energy: -11.607 Base-Backbone interact. energy: -0.010 local terms energy: -26.062222 where: bonds (distance) C4'-P energy: -5.723 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.900 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: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -35.712763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.712763 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -25.327832 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -34.190955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.190955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.190955 (E_RNA) where: Base-Base interactions energy: -11.090 where: short stacking energy: -11.090 Base-Backbone interact. energy: -0.020 local terms energy: -23.081279 where: bonds (distance) C4'-P energy: -5.699 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -38.556347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.556347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.556347 (E_RNA) where: Base-Base interactions energy: -12.258 where: short stacking energy: -12.258 Base-Backbone interact. energy: -0.091 local terms energy: -26.207492 where: bonds (distance) C4'-P energy: -4.481 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -31.270872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.270872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.270872 (E_RNA) where: Base-Base interactions energy: -5.515 where: short stacking energy: -5.515 Base-Backbone interact. energy: -0.000 local terms energy: -25.755159 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.059 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: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -33.332023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.332023 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.020 local terms energy: -24.531067 where: bonds (distance) C4'-P energy: -5.959 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -39.693132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.693132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.693132 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.040 local terms energy: -26.929444 where: bonds (distance) C4'-P energy: -5.939 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -3.357 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: 494 Temperature: 0.950000 Total energy: -33.185719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.185719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.185719 (E_RNA) where: Base-Base interactions energy: -10.080 where: short stacking energy: -9.376 Base-Backbone interact. energy: -0.052 local terms energy: -23.053839 where: bonds (distance) C4'-P energy: -3.951 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -2.179 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: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -34.185305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.185305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.185305 (E_RNA) where: Base-Base interactions energy: -5.910 where: short stacking energy: -5.910 Base-Backbone interact. energy: -0.001 local terms energy: -28.275056 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -7.513 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -2.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -36.677967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.677967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.677967 (E_RNA) where: Base-Base interactions energy: -11.959 where: short stacking energy: -11.959 Base-Backbone interact. energy: -0.000 local terms energy: -24.719011 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: 0.233 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: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -38.110661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.110661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.110661 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.000 local terms energy: -25.869709 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -3.835 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: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -31.301797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.301797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.301797 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.002 local terms energy: -26.076022 where: bonds (distance) C4'-P energy: -6.783 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.209 tors. eta vs tors. theta energy: -2.496 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: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -32.939987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.939987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.939987 (E_RNA) where: Base-Base interactions energy: -6.401 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.024 local terms energy: -26.515225 where: bonds (distance) C4'-P energy: -7.193 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -1.973 tors. eta vs tors. theta energy: -3.691 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: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -30.734315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.734315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.734315 (E_RNA) where: Base-Base interactions energy: -3.574 where: short stacking energy: -3.574 Base-Backbone interact. energy: -0.000 local terms energy: -27.160511 where: bonds (distance) C4'-P energy: -6.986 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -1.769 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: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -35.276322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.276322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.276322 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.090 local terms energy: -24.396802 where: bonds (distance) C4'-P energy: -7.094 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: 1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -33.795901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.795901 (E_RNA) where: Base-Base interactions energy: -8.913 where: short stacking energy: -8.913 Base-Backbone interact. energy: -0.000 local terms energy: -24.882760 where: bonds (distance) C4'-P energy: -6.108 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -2.963 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: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -42.257728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.257728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.257728 (E_RNA) where: Base-Base interactions energy: -12.811 where: short stacking energy: -12.811 Base-Backbone interact. energy: -0.001 local terms energy: -29.445606 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -4.928 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: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -38.725440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.725440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.725440 (E_RNA) where: Base-Base interactions energy: -14.869 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.057 local terms energy: -23.799375 where: bonds (distance) C4'-P energy: -5.910 bonds (distance) P-C4' energy: -6.495 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -0.864 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: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -32.700556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.700556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.700556 (E_RNA) where: Base-Base interactions energy: -7.008 where: short stacking energy: -7.008 Base-Backbone interact. energy: 0.457 local terms energy: -26.149476 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -37.069021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.069021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.069021 (E_RNA) where: Base-Base interactions energy: -9.780 where: short stacking energy: -8.444 Base-Backbone interact. energy: -0.423 local terms energy: -26.866146 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -3.490 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: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -34.475409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.475409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.475409 (E_RNA) where: Base-Base interactions energy: -8.808 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.003 local terms energy: -25.664597 where: bonds (distance) C4'-P energy: -6.224 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -35.578220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.578220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.578220 (E_RNA) where: Base-Base interactions energy: -13.930 where: short stacking energy: -13.930 Base-Backbone interact. energy: -0.003 local terms energy: -21.644614 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -6.041 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -33.301385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.301385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.301385 (E_RNA) where: Base-Base interactions energy: -9.659 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.805 local terms energy: -22.837151 where: bonds (distance) C4'-P energy: -5.736 bonds (distance) P-C4' energy: -5.978 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -0.226 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: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -25.019215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.019215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.019215 (E_RNA) where: Base-Base interactions energy: -2.614 where: short stacking energy: -2.614 Base-Backbone interact. energy: -0.036 local terms energy: -22.368901 where: bonds (distance) C4'-P energy: -4.697 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: 0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -32.490792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.490792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.490792 (E_RNA) where: Base-Base interactions energy: -8.833 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.002 local terms energy: -23.654972 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -29.656979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.656979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.656979 (E_RNA) where: Base-Base interactions energy: -8.524 where: short stacking energy: -8.524 Base-Backbone interact. energy: -0.150 local terms energy: -20.983288 where: bonds (distance) C4'-P energy: -4.945 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -37.384005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.384005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.384005 (E_RNA) where: Base-Base interactions energy: -12.230 where: short stacking energy: -11.704 Base-Backbone interact. energy: -0.002 local terms energy: -25.151808 where: bonds (distance) C4'-P energy: -6.572 bonds (distance) P-C4' energy: -6.569 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -42.030781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.030781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.030781 (E_RNA) where: Base-Base interactions energy: -14.397 where: short stacking energy: -14.397 Base-Backbone interact. energy: -0.057 local terms energy: -27.577086 where: bonds (distance) C4'-P energy: -5.852 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -41.388184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.388184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.388184 (E_RNA) where: Base-Base interactions energy: -15.340 where: short stacking energy: -15.340 Base-Backbone interact. energy: -0.000 local terms energy: -26.048188 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -35.969931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.969931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.969931 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.000 local terms energy: -28.916693 where: bonds (distance) C4'-P energy: -6.560 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -36.072066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.072066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.072066 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.099 local terms energy: -27.544147 where: bonds (distance) C4'-P energy: -7.085 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -3.718 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: 9 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -32.179822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.179822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.179822 (E_RNA) where: Base-Base interactions energy: -9.085 where: short stacking energy: -9.085 Base-Backbone interact. energy: -0.001 local terms energy: -23.093502 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -33.762426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.762426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.762426 (E_RNA) where: Base-Base interactions energy: -11.664 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.011 local terms energy: -22.087346 where: bonds (distance) C4'-P energy: -5.123 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -28.943220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.943220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.943220 (E_RNA) where: Base-Base interactions energy: -4.014 where: short stacking energy: -4.014 Base-Backbone interact. energy: -0.016 local terms energy: -24.913967 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -28.780800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780800 (E_RNA) where: Base-Base interactions energy: -6.337 where: short stacking energy: -6.337 Base-Backbone interact. energy: 0.529 local terms energy: -22.973095 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -30.951474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.951474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.951474 (E_RNA) where: Base-Base interactions energy: -5.342 where: short stacking energy: -5.342 Base-Backbone interact. energy: -0.000 local terms energy: -25.609859 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -5.520 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -3.987 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: 4 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -40.544219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.544219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.544219 (E_RNA) where: Base-Base interactions energy: -14.877 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.069 local terms energy: -25.598656 where: bonds (distance) C4'-P energy: -5.268 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -2.254 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: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -38.393732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.393732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.393732 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.000 local terms energy: -23.932198 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -40.748608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.748608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.748608 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -13.011 Base-Backbone interact. energy: -1.054 local terms energy: -26.683931 where: bonds (distance) C4'-P energy: -6.088 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -31.189034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.189034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.189034 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.005 local terms energy: -24.110208 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -36.223573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.223573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.223573 (E_RNA) where: Base-Base interactions energy: -11.156 where: short stacking energy: -11.156 Base-Backbone interact. energy: -0.001 local terms energy: -25.066693 where: bonds (distance) C4'-P energy: -5.777 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -3.267 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: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -31.337097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.337097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.337097 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.013 local terms energy: -22.391166 where: bonds (distance) C4'-P energy: -5.947 bonds (distance) P-C4' energy: -7.345 flat angles C4'-P-C4' energy: -2.276 flat angles P-C4'-P energy: -3.233 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -33.046429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.046429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.046429 (E_RNA) where: Base-Base interactions energy: -10.616 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.001 local terms energy: -22.430184 where: bonds (distance) C4'-P energy: -6.320 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -31.856563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.856563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.856563 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.003 local terms energy: -24.640354 where: bonds (distance) C4'-P energy: -5.645 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -30.872100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.872100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.872100 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.001 local terms energy: -23.723465 where: bonds (distance) C4'-P energy: -6.348 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -1.466 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: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -28.488984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.488984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.488984 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.006 local terms energy: -21.135794 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -0.746 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: 1, replica: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -41.900288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.900288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.900288 (E_RNA) where: Base-Base interactions energy: -15.535 where: short stacking energy: -15.680 Base-Backbone interact. energy: -0.016 local terms energy: -26.349704 where: bonds (distance) C4'-P energy: -6.498 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -34.036666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.036666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.036666 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.196 local terms energy: -23.595357 where: bonds (distance) C4'-P energy: -6.071 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -35.364740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.364740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.364740 (E_RNA) where: Base-Base interactions energy: -11.991 where: short stacking energy: -11.991 Base-Backbone interact. energy: -0.020 local terms energy: -23.353419 where: bonds (distance) C4'-P energy: -6.390 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -45.064514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.064514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.064514 (E_RNA) where: Base-Base interactions energy: -14.869 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.000 local terms energy: -30.195918 where: bonds (distance) C4'-P energy: -5.495 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -36.476751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.476751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.476751 (E_RNA) where: Base-Base interactions energy: -8.502 where: short stacking energy: -8.502 Base-Backbone interact. energy: -0.001 local terms energy: -27.973947 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -5.744 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -32.148447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.148447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.148447 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.155 local terms energy: -21.203796 where: bonds (distance) C4'-P energy: -6.046 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -32.998286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.998286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.998286 (E_RNA) where: Base-Base interactions energy: -6.315 where: short stacking energy: -6.315 Base-Backbone interact. energy: -0.042 local terms energy: -26.641146 where: bonds (distance) C4'-P energy: -6.730 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -33.497168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.497168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.497168 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.202 local terms energy: -20.017844 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -1.709 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: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -29.866708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.866708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.866708 (E_RNA) where: Base-Base interactions energy: -5.181 where: short stacking energy: -5.181 Base-Backbone interact. energy: -0.073 local terms energy: -24.612363 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -6.360 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -26.859290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.859290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.859290 (E_RNA) where: Base-Base interactions energy: -4.535 where: short stacking energy: -4.535 Base-Backbone interact. energy: -0.147 local terms energy: -22.177160 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -2.100 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -46.524164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.524164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.524164 (E_RNA) where: Base-Base interactions energy: -16.313 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.000 local terms energy: -30.211253 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -40.670491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.670491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.670491 (E_RNA) where: Base-Base interactions energy: -13.378 where: short stacking energy: -13.378 Base-Backbone interact. energy: -0.011 local terms energy: -27.281568 where: bonds (distance) C4'-P energy: -6.605 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -4.736 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: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -36.352630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.352630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.352630 (E_RNA) where: Base-Base interactions energy: -10.618 where: short stacking energy: -10.618 Base-Backbone interact. energy: -0.003 local terms energy: -25.731937 where: bonds (distance) C4'-P energy: -6.026 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -37.926638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.926638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.926638 (E_RNA) where: Base-Base interactions energy: -10.746 where: short stacking energy: -10.746 Base-Backbone interact. energy: -0.000 local terms energy: -27.180739 where: bonds (distance) C4'-P energy: -4.333 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -4.021 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: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -30.548358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.548358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.548358 (E_RNA) where: Base-Base interactions energy: -4.154 where: short stacking energy: -4.154 Base-Backbone interact. energy: -0.049 local terms energy: -26.345379 where: bonds (distance) C4'-P energy: -6.792 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -4.849 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: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -37.377843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.377843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.377843 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.068 local terms energy: -23.441500 where: bonds (distance) C4'-P energy: -3.666 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -3.190 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: 1 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -28.379886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.379886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.379886 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.033 local terms energy: -22.190030 where: bonds (distance) C4'-P energy: -4.684 bonds (distance) P-C4' energy: -6.326 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: 0.807 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: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -33.550109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.550109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.550109 (E_RNA) where: Base-Base interactions energy: -8.445 where: short stacking energy: -8.445 Base-Backbone interact. energy: -0.017 local terms energy: -25.088811 where: bonds (distance) C4'-P energy: -5.612 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -5.402 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -1.660 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: 499 Temperature: 1.300000 Total energy: -32.968125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.968125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.968125 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.185 Base-Backbone interact. energy: -0.091 local terms energy: -24.660803 where: bonds (distance) C4'-P energy: -6.340 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -1.024 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: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -26.904034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.904034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.904034 (E_RNA) where: Base-Base interactions energy: -0.457 where: short stacking energy: -0.457 Base-Backbone interact. energy: -0.021 local terms energy: -26.425885 where: bonds (distance) C4'-P energy: -7.210 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -35.560172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.560172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.560172 (E_RNA) where: Base-Base interactions energy: -10.225 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.370 local terms energy: -24.965330 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -34.463897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.463897 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.159 local terms energy: -25.961638 where: bonds (distance) C4'-P energy: -6.676 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -34.076234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.076234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.076234 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.052 local terms energy: -23.227351 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.190 tors. eta vs tors. theta energy: -3.653 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: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -38.665406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.665406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.665406 (E_RNA) where: Base-Base interactions energy: -10.600 where: short stacking energy: -10.521 Base-Backbone interact. energy: -0.031 local terms energy: -28.033695 where: bonds (distance) C4'-P energy: -6.009 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -4.300 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: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -30.077220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.077220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.077220 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.008 local terms energy: -23.550218 where: bonds (distance) C4'-P energy: -5.881 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -37.438619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.438619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.438619 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -12.537 Base-Backbone interact. energy: -0.003 local terms energy: -24.898820 where: bonds (distance) C4'-P energy: -6.846 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -4.030 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: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -29.095049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.095049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.095049 (E_RNA) where: Base-Base interactions energy: -6.109 where: short stacking energy: -6.109 Base-Backbone interact. energy: 0.723 local terms energy: -23.709145 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -1.149 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: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -34.784011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.784011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.784011 (E_RNA) where: Base-Base interactions energy: -10.528 where: short stacking energy: -10.528 Base-Backbone interact. energy: -0.007 local terms energy: -24.248465 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.667 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: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -27.714738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.714738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.714738 (E_RNA) where: Base-Base interactions energy: -4.557 where: short stacking energy: -4.898 Base-Backbone interact. energy: -0.044 local terms energy: -23.114026 where: bonds (distance) C4'-P energy: -4.618 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -0.424 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: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -29.295807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.295807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.295807 (E_RNA) where: Base-Base interactions energy: -5.212 where: short stacking energy: -5.212 Base-Backbone interact. energy: -0.031 local terms energy: -24.052325 where: bonds (distance) C4'-P energy: -6.142 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -1.026 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: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -42.638800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.638800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.638800 (E_RNA) where: Base-Base interactions energy: -14.702 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.010 local terms energy: -27.926087 where: bonds (distance) C4'-P energy: -6.568 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -38.603836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.603836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.603836 (E_RNA) where: Base-Base interactions energy: -11.441 where: short stacking energy: -11.441 Base-Backbone interact. energy: -0.000 local terms energy: -27.162776 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -6.167 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -35.455371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.455371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.455371 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.097 local terms energy: -27.078782 where: bonds (distance) C4'-P energy: -6.170 bonds (distance) P-C4' energy: -6.728 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -36.405520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.405520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.405520 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.094 local terms energy: -26.862530 where: bonds (distance) C4'-P energy: -6.916 bonds (distance) P-C4' energy: -6.832 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -2.588 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: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -32.637286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.637286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.637286 (E_RNA) where: Base-Base interactions energy: -10.335 where: short stacking energy: -10.335 Base-Backbone interact. energy: -0.099 local terms energy: -22.203331 where: bonds (distance) C4'-P energy: -3.943 bonds (distance) P-C4' energy: -6.755 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: 0.270 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: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -33.289796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.289796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.289796 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.040 local terms energy: -22.565329 where: bonds (distance) C4'-P energy: -3.806 bonds (distance) P-C4' energy: -8.032 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -28.147924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.147924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.147924 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.041 local terms energy: -20.499131 where: bonds (distance) C4'-P energy: -6.278 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -0.992 tors. eta vs tors. theta energy: -2.946 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: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -33.148972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.148972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.148972 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.027 local terms energy: -22.690809 where: bonds (distance) C4'-P energy: -4.589 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -1.951 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: 1 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -26.974831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.974831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.974831 (E_RNA) where: Base-Base interactions energy: -6.906 where: short stacking energy: -6.906 Base-Backbone interact. energy: -0.181 local terms energy: -19.888188 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -7.795 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: 0.899 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: 501 Temperature: 1.350000 Total energy: -29.119799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.119799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.119799 (E_RNA) where: Base-Base interactions energy: -6.345 where: short stacking energy: -6.345 Base-Backbone interact. energy: -0.049 local terms energy: -22.725833 where: bonds (distance) C4'-P energy: -5.281 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -1.712 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) replica 8 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 10690001 moves confirmed later: 14113365 all moves confirmed: 24803366 percent of confirmed moves: 3.100421 current total energy: -22.780402 recalc. total energy: -22.780402 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 10683260 moves confirmed later: 14108697 all moves confirmed: 24791957 percent of confirmed moves: 3.098995 current total energy: -8.732403 recalc. total energy: -8.732403 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 10683443 moves confirmed later: 14101471 all moves confirmed: 24784914 percent of confirmed moves: 3.098114 current total energy: -9.948232 recalc. total energy: -9.948232 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 10655932 moves confirmed later: 14054566 all moves confirmed: 24710498 percent of confirmed moves: 3.088812 current total energy: -23.332678 recalc. total energy: -23.332678 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 10660223 moves confirmed later: 14062433 all moves confirmed: 24722656 percent of confirmed moves: 3.090332 current total energy: -11.889067 recalc. total energy: -11.889067 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 10633956 moves confirmed later: 14017350 all moves confirmed: 24651306 percent of confirmed moves: 3.081413 current total energy: -13.533682 recalc. total energy: -13.533682 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 10676506 moves confirmed later: 14068413 all moves confirmed: 24744919 percent of confirmed moves: 3.093115 current total energy: -12.802934 recalc. total energy: -12.802934 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 10711514 moves confirmed later: 14149886 all moves confirmed: 24861400 percent of confirmed moves: 3.107675 current total energy: -15.274220 recalc. total energy: -15.274220 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 10630802 moves confirmed later: 14018917 all moves confirmed: 24649719 percent of confirmed moves: 3.081215 current total energy: -14.041510 recalc. total energy: -14.041510 replica 1 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 10656876 moves confirmed later: 14054065 all moves confirmed: 24710941 percent of confirmed moves: 3.088868 current total energy: -11.027498 recalc. total energy: -11.027498 out arg RESULTS//1/7q4l_rna-28c8c6bb_01 Time of doing 8000000 iterations: 226.933 seconds